486	486	494	3:SP3_SP2_SP3	C[3,6]	C[3,6]	N[3]	4:2:2:2:	4:4:2:2:	4:4:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O){1|H<1>,3|C<3>}	62.5762	0.000	1	62.5762	0.000	1	62.5762	0.000	1	62.5762	0.000	1	59.3671	20.596	2	59.3671	20.596	2
486	486	494	3:SP3_SP2_SP3	C[3,6]	C[3,6]	N[3]	4:4:2:2:	4:2:2:2:	4:4:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN){4|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O){1|H<1>,3|C<3>}	56.1581	0.000	1	56.1581	0.000	1	56.1581	0.000	1	56.1581	0.000	1	59.3671	20.596	2	59.3671	20.596	2
486	486	542	0:SP3_SP2_SP3	C[3,5,6,6]	C[3]	N[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	C[3,5,6,6]-4:C[3,6,6]-4:Cl-1:H-1:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H)	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	C[3](C[3,5,6,6]C[3,6,6]C[5,6]N[5,6])(C[3,6,6]C[3,5,6,6]C[6]2)(Cl)(H){1|C<3>,4|H<1>,6|C<4>}	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	N[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5,5,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H)	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3,5,5,6]C[3,5,6]C[5,6a]C[5,6])(C[3,5,6]C[3,5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	N[5]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5,6a]C)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	114.7335	2.140	2	114.7335	4.581	2	114.7335	4.581	2	114.7335	4.581	2	120.7865	15.481	8	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	123.9910	0.000	2	123.9910	0.000	2	122.8042	1.217	6	122.8042	1.217	6	120.7865	15.481	8	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	121.9105	1.153	2	121.9105	1.330	2	122.8042	1.217	6	122.8042	1.217	6	120.7865	15.481	8	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.2220	0.000	1	122.5110	0.167	2	122.8042	1.217	6	122.8042	1.217	6	120.7865	15.481	8	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.8000	0.000	1	122.5110	0.167	2	122.8042	1.217	6	122.8042	1.217	6	120.7865	15.481	8	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3,6]	N[5]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	115.2780	1.080	2	115.2780	1.167	2	115.2780	1.167	2	115.2780	1.167	2	115.2780	1.167	2	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:3:3:4:	4:4:3:1:	3:4:4:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C-3:H-1:	C[5,6a]-3:C[3,5]-4:S-4:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|O<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	122.7175	12.645	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:3:3:4:	4:4:3:1:	3:4:4:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:S-4:	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	125.2320	0.000	1	125.2320	0.000	1	125.2320	0.000	1	122.7175	12.645	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H){1|H<1>,2|C<3>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:1:	4:4:3:1:	4:4:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	C[3](C[3,5]C[3,5]N[5]H)(C[3,5]C[3,5]2H)(COO)(H)	N[5](C[3,5]C[3,5]C[3]H)2(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	C[3](C[3,5]C[3,5]N[5]H)(C[3,5]C[3,5]2H)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	114.5060	0.412	2	114.5060	0.169	2	114.5060	0.169	2	114.5060	0.169	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:1:	4:4:3:2:	3:4:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	119.1485	0.377	2	119.1485	0.142	2	119.0205	0.661	4	119.0205	0.661	4	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.8350	0.000	1	118.8925	1.777	2	119.0205	0.661	4	119.0205	0.661	4	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	117.9500	0.000	1	118.8925	1.777	2	119.0205	0.661	4	119.0205	0.661	4	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:3:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(COO)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.6300	0.000	2	122.6300	0.000	2	122.6300	0.000	2	122.6300	0.000	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-3:N-3:	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	C[3](C[3,5]C[3,5]N[5]C)2(H)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	C[3](C[3,5]C[3,5]N[5]C)2(H)2{1|C<3>,2|N<3>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	114.9475	1.474	2	114.9475	2.174	2	114.9475	2.174	2	114.9475	2.174	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3,5]-4:C[3]-4:Cl-1:Cl-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(Cl)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	123.4070	0.000	1	123.4070	0.000	1	123.4070	0.000	1	127.3940	31.792	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]Cl2)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]Cl2)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	131.3810	0.000	1	131.3810	0.000	1	131.3810	0.000	1	127.3940	31.792	2	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	121.2170	1.187	2	121.2170	1.408	2	122.1123	3.109	3	122.1123	3.109	3	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:4:3:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH){1|C<3>,5|H<1>}	123.9030	0.000	1	123.9030	0.000	1	122.1123	3.109	3	122.1123	3.109	3	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:4:3:	4:4:3:1:	4:3:4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH){1|C<3>,5|H<1>}	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	120.0038	19.220	20	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3,3]	N[5]	4:4:3:1:	4:4:4:4:	4:4:3:	C[3]-4:C[3,3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:C[3]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H)	C[3,3](C[3]C[3]N[5]H)(C[3]C[3]HH)3	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,3](C[3]C[3]N[5]H)(C[3]C[3]HH)3{1|C<3>,1|C<4>}	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	118.6115	0.452	4	118.6115	0.204	4	118.6115	0.204	4	118.6115	0.204	4	118.5274	0.188	5	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3,3]	N[5]	4:4:3:4:	4:4:4:4:	4:4:3:	C[3]-4:C[3,3]-4:N[5]-3:C-4:	C[3]-4:C[3]-4:C[3]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH)	C[3,3](C[3]C[3]N[5]C)(C[3]C[3]HH)3	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,3](C[3]C[3]N[5]C)(C[3]C[3]HH)3{1|C<3>,1|C<4>}	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.5274	0.188	5	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:3:1:	4:3:1:1:	4:2:2:	N[5]-3:C[3]-4:C[3]-3:H-1:	C[3]-4:C[3]-3:H-1:H-1:	C[3]-4:C[5]-2:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]H)(H)2	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H){1|N<2>,1|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]H)(H)2{1|C<2>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	118.2800	0.000	1	118.2800	0.000	1	118.2800	0.000	1	118.2800	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:4:1:	4:4:1:1:	4:3:2:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Cu<6>,4|H<1>}	118.0226	0.741	10	117.9894	0.458	18	117.9894	0.458	18	117.9894	0.458	18	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:4:1:	4:4:1:1:	4:3:2:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Fe<6>,4|H<1>}	118.1440	0.583	2	117.9894	0.458	18	117.9894	0.458	18	117.9894	0.458	18	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:4:1:	4:4:1:1:	4:3:2:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Mn<6>,4|H<1>}	117.9445	0.272	2	117.9894	0.458	18	117.9894	0.458	18	117.9894	0.458	18	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:4:1:	4:4:1:1:	4:3:2:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Zn<6>,4|H<1>}	118.2490	0.365	2	117.9894	0.458	18	117.9894	0.458	18	117.9894	0.458	18	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	3:4:4:1:	4:4:1:1:	4:3:2:	N[5]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,2|N<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){2|Cu<6>,4|H<1>}	117.4545	1.234	2	117.9894	0.458	18	117.9894	0.458	18	117.9894	0.458	18	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:3:3:3:	4:3:1:1:	3:3:4:	C[3]-4:C[3]-3:N[5]-3:C-3:	C[3]-4:C[3]-3:H-1:H-1:	C[5]-3:C[5]-3:C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO)	C[3](C[3]C[3]N[5]C)(C[3]C[3]C)(H)2	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO){2|C<3>,2|O<1>}	C[3](C[3]C[3]N[5]C)(C[3]C[3]C)(H)2{2|C<3>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C){2|H<1>,3|C<3>}	118.2925	0.480	2	118.2925	0.231	2	118.2925	0.231	2	118.2925	0.231	2	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:3:3:4:	4:3:1:1:	4:4:3:	C[3]-4:C[3]-3:N[5]-3:C-4:	C[3]-4:C[3]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	C[3](C[3]C[3]N[5]C)(C[3]C[3]C)(H)2	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[3](C[3]C[3]N[5]C)(C[3]C[3]C)(H)2{1|C<3>,1|C<4>}	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	115.4510	0.000	1	115.4510	0.000	1	115.4510	0.000	1	115.4510	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:3:4:1:	4:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[5]-3:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-3:C[5]-3:C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]CH)(H)2	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){2|C<3>,2|O<1>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]CH)(H)2{2|C<3>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H){3|C<3>,3|H<1>}	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	3:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-3:C[3]-4:C[5]-3:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<2>,2|C<3>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{2|C<3>}	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	119.0180	0.259	2	119.0180	0.067	2	119.0180	0.067	2	119.0180	0.067	2	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{2|C<3>}	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	118.7935	1.251	2	118.7935	1.565	2	118.7935	1.565	2	118.7935	1.565	2	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3,3]-4:N[5]-3:H-1:	C[3]-4:C[3,3]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H)	C[3](C[3]C[3,3]N[5]H)(C[3,3]C[3]3)(H)2	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3]C[3,3]N[5]H)(C[3,3]C[3]3)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	118.8910	1.166	4	118.8910	1.359	4	118.8910	1.359	4	118.6416	0.709	9	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]CH)(H)2	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]CH)(H)2{1|C<3>,1|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	118.1830	0.000	1	118.1830	0.000	1	118.4420	0.287	5	118.6416	0.709	9	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(H)2{1|C<3>,1|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	118.5067	0.595	4	118.5067	0.354	4	118.4420	0.287	5	118.6416	0.709	9	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:3:1:	3:3:4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[5]-3:C[5]-3:C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){2|C<3>,2|O<1>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(COO)(H){2|C<3>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H){3|C<3>,3|H<1>}	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:3:1:	4:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[5]-4:C[3]-4:C[5]-3:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[5]H)(CHO)(H)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[5]H)(CHO)(H){1|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(CHHO)(H)	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(CHHO)(H){1|C<3>,1|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP2_SP3	C[3]	C[3]	N[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[3]-4:C[3,3]-4:N[5]-3:C-4:	C[3]-4:C[3,3]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH)	C[3](C[3]C[3,3]N[5]C)(C[3,3]C[3]3)(H)2	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3](C[3]C[3,3]N[5]C)(C[3,3]C[3]3)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	118.3952	2.077	41	118.8828	8.753	79
486	486	542	0:SP3_SP3_SP3	C[3,5,5]	C[3,5]	N[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.8310	0.000	1	121.8310	0.000	1	122.1970	0.100	3	122.1970	0.100	3	122.1970	0.100	3	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5,5]	C[3,5]	N[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5,6a]H)(C[5]N[5]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	122.3800	0.000	2	122.3800	0.000	2	122.1970	0.100	3	122.1970	0.100	3	122.1970	0.100	3	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5,6]	C[3,6]	N[5,6]	4:3:3:3:	4:3:3:4:	4:3:3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5]	C[3]	N[5,5]	3:4:4:1:	4:4:3:1:	4:4:3:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5,5]-4:C[5]-3:	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	C[3](C[3,5]C[3,5]N[5,5]H)(C[3,5]C[3,5]C[5]H)(COO)(H)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[3](C[3,5]C[3,5]N[5,5]H)(C[3,5]C[3,5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|O<1>}	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5]	C[3]	N[5]	4:4:3:1:	4:4:3:1:	4:4:4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:S-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]N[5]H)(COO)(H){1|C<4>,1|O<1>,1|S<4>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	117.1540	3.786	3	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	C[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]N[5]C)(H)2	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]N[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	117.2445	7.523	2	117.1540	3.786	3	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,5]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]N[5])(C[3,5]C[3,5]C[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	117.2445	7.523	2	117.1540	3.786	3	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,6]	C[3,6]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[5]-4:C[5]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.8200	0.000	2	117.8200	0.000	2	117.8200	0.000	2	117.8200	0.000	2	117.8200	0.000	2	118.5276	8.844	13
486	486	542	0:SP3_SP3_SP3	C[3,6]	C[3]	N[5]	4:4:3:3:	4:4:1:1:	4:4:3:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[5]-4:C[5]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3](C[3,6]C[3,6]C[6]N[5])(C[3,6]C[3,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.1340	0.000	2	117.1340	0.000	2	117.1340	0.000	2	117.1340	0.000	2	117.1340	0.000	2	118.5276	8.844	13
486	486	542	5:SP3_SP2_SP3	C[3,5,6]	C[3,5,5,6]	N[5]	4:4:3:4:	4:4:3:4:	4:3:4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5,6]	C[3,5]	N[5]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5,5]	N[5]	4:4:3:1:	4:3:4:4:	4:3:3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	105.2985	0.103	2	105.2985	0.011	2	105.2985	0.011	2	105.2985	0.011	2	105.2985	0.011	2	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	N[5]	4:4:3:1:	4:3:4:4:	4:3:3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	106.5220	0.252	2	106.5220	0.063	2	106.5220	0.063	2	106.5220	0.063	2	106.5220	0.063	2	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:3:3:3:	4:3:3:4:	4:3:4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	106.0406	3.683	7	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:1:	3:4:4:4:	3:4:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	106.0406	3.683	7	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	105.1980	0.000	1	105.1980	0.000	1	105.1980	0.000	1	105.1980	0.000	1	106.0406	3.683	7	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3,5]-4:C-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(H)	N[5](C[3,5]C[3,5]C[3]H)2(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(H){2|C<3>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	107.8745	0.421	2	107.8745	0.177	2	107.8745	0.177	2	107.8745	0.177	2	106.0406	3.683	7	105.9225	2.006	13
486	486	542	5:SP3_SP2_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	C[3,5]-4:C[5]-3:N-3:	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	103.6860	0.092	2	103.6860	0.008	2	103.6860	0.008	2	103.6860	0.008	2	106.0406	3.683	7	105.9225	2.006	13
486	486	542	5:SP3_SP3_SP3	C[3,5,5]	C[3,5]	N[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.6200	0.000	1	107.6200	0.000	1	108.2027	0.255	3	108.2027	0.255	3	108.2027	0.255	3	108.4485	0.940	6
486	486	542	5:SP3_SP3_SP3	C[3,5,5]	C[3,5]	N[5]	4:4:3:4:	4:4:3:1:	4:3:4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	108.4940	0.000	2	108.4940	0.000	2	108.2027	0.255	3	108.2027	0.255	3	108.2027	0.255	3	108.4485	0.940	6
486	486	542	5:SP3_SP3_SP3	C[3,5]	C[3,5,6]	N[5]	4:4:3:3:	3:4:4:4:	4:4:3:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	108.4485	0.940	6
486	486	542	5:SP3_SP3_SP3	C[3,5]	C[3,5]	N[5,5]	3:4:4:1:	4:4:3:1:	4:4:3:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[5]-3:	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	108.4485	0.940	6
486	486	542	5:SP3_SP3_SP3	C[3,5]	C[3,5]	N[5]	4:4:3:1:	4:4:3:1:	4:4:4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-4:S-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<4>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	108.4485	0.940	6
486	486	542	6:SP3_SP2_SP3	C[3,5,6,6]	C[3,6,6]	N[5,6]	4:4:4:3:	4:4:4:4:	4:4:3:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1
486	486	610	0:SP3_SP3_SP3	C[3,3,5]	C[3,3,5]	B	4:4:12:4:	4:4:12:1:	4:3:3:1:	C[3,3,5]-4:C[3,3,5]-4:Nb[10x3]-12:B-4:	C[3,3,5]-4:C[3,3,5]-4:Nb[10x3]-12:H-1:	C[3,3,5]-4:C[6a]-3:C[6a]-3:Cl-1:	C[3,3,5](C[3,3,5]C[3,3,5]Nb[10x3]H)2(Nb[10x3]C[3,3,5]9Cl2)(BC[6a]2Cl)	C[3,3,5](C[3,3,5]C[3,3,5]Nb[10x3]B)(C[3,3,5]C[3,3,5]Nb[10x3]H)(Nb[10x3]C[3,3,5]9Cl2)(H)	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[3,3,5](C[3,3,5]C[3,3,5]Nb[10x3]H)2(Nb[10x3]C[3,3,5]9Cl2)(BC[6a]2Cl){1|Si<4>,6|H<1>}	C[3,3,5](C[3,3,5]C[3,3,5]Nb[10x3]B)(C[3,3,5]C[3,3,5]Nb[10x3]H)(Nb[10x3]C[3,3,5]9Cl2)(H){1|Si<4>,6|H<1>}	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	127.1890	0.837	2	127.1890	0.701	2	127.1890	0.701	2	127.1890	0.701	2	127.1890	0.701	2	127.1890	0.701	2
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	2:4:4:3:	4:4:1:1:	3:4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<4>,3|C<3>,4|H<1>}	113.6790	1.393	2	113.6790	1.940	2	113.6790	1.940	2	113.6790	1.940	2	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<3>,2|C<4>,6|H<1>}	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	2:4:4:4:	4:4:4:1:	3:4:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<3>,2|C<4>,6|H<1>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	3:4:3:2:	4:3:4:1:	4:3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[6]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	4:4:2:3:	4:4:1:1:	3:4:	C[3,6]-4:C[3]-4:O[6]-2:C-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	116.9470	34.895	2	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	4:4:2:3:	4:4:1:1:	3:4:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6]-3:C[3,6]-4:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6])	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2{1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6]){1|C<4>,3|C<3>,6|H<1>}	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	116.9470	34.895	2	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	4:4:2:3:	4:4:3:1:	3:4:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6]-3:C[3,6]-4:	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6])	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6]){1|C<4>,3|C<3>,6|H<1>}	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP2_SP3	C[3,6]	C[3]	O[6]	4:4:4:2:	4:4:1:1:	4:3:	C[3,6]-4:C[3]-4:C[3]-4:O[6]-2:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-3:	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6])	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O)	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O){2|C<3>,2|C<4>,4|H<1>}	113.3942	1.705	4	113.3942	2.909	4	113.3942	2.909	4	113.3942	2.909	4	114.1363	6.590	12	114.1363	6.590	12
486	486	622	0:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[6]	4:4:4:2:	4:4:3:3:	4:4:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6,6]-4:C[6]-4:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[6]	4:4:2:2:	4:4:4:4:	4:4:	C[3,5,6]-4:C[3,6]-4:O[6]-2:O[6]-2:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[3,6]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH)	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2{1|C<2>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH){1|H<1>,6|C<4>}	119.4518	0.461	4	119.4518	0.213	4	119.4518	0.213	4	119.4518	0.213	4	119.4518	0.213	4	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3,5]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[3,5,6]-4:C[3,5]-4:O[6]-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:H-1:	C[3,6]-4:C[6,6]-4:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H)	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]O[6]H)(C[5]O[5]O)(H){1|H<1>,2|C<4>}	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[3,5,6]-4:C[3,6]-4:O[6]-2:O[6]-2:	C[3,5,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H)	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH)	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)(O[6]C[6])2{1|C<2>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH){1|H<1>,6|C<4>}	115.9142	1.387	4	115.9142	1.923	4	115.9142	1.923	4	115.9142	1.923	4	115.9142	1.923	4	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[4,5,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2)	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2{1|O<2>,3|C<4>}	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2){1|N<3>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	115.0110	2.424	2	115.0110	5.876	2	114.7035	4.719	4	114.7035	4.719	4	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[4,5,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2)	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[3](C[3,6]C[3,6]C[3]O[6])(C[3]C[3,6]HH)(H)2{1|O<2>,3|C<4>}	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	114.3960	2.811	2	114.3960	7.904	2	114.7035	4.719	4	114.7035	4.719	4	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:3:2:2:	4:2:4:1:	4:4:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:4:2:4:	4:4:1:1:	4:4:	C[3,6]-4:C[3]-4:O[6]-2:C-4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3)	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2{2|C<4>,2|O<1>}	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|S<4>,2|H<1>}	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6])	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HO)(H)2	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO){1|C<4>,3|O<2>,5|H<1>}	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	116.3480	21.992	2	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[3]-4:C[3]-4:O[6]-2:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6])	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO)	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO){2|C<4>,2|O<2>,5|H<1>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	116.3480	21.992	2	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[3]-4:C[3]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6])	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(OC)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO){1|C<4>,3|O<2>,5|H<1>}	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	115.6752	5.319	10	116.7645	5.651	20
486	486	622	0:SP3_SP3_SP3	C[3,6]	C[3]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[6]-4:C[3]-4:C[3]-4:O[6]-2:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6])	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO)	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO){2|C<4>,2|O<2>,5|H<1>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	115.6752	5.319	10	116.7645	5.651	20
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:2:2:2:	4:4:2:2:	4:3:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN){4|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:3:2:1:	4:3:3:3:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:3:2:2:	4:4:3:2:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3063	0.106	3	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:3:2:2:	4:4:3:2:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	121.2740	0.453	2	121.2740	0.205	2	121.2740	0.205	2	121.3063	0.106	3	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:3:2:2:	4:4:3:2:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:3:2:2:	4:4:3:3:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:4:2:3:	4:4:4:3:	3:4:	C[3,6]-4:C[3]-4:O[6]-2:C-3:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO)	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP2_SP3	C[3,6]	C[3,6]	O[6]	4:4:4:2:	3:4:4:4:	4:3:	C[3,6]-4:C[3]-4:C[3]-4:O[6]-2:	C[6,6a]-3:C[3,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[6]-3:	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O)	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2{3|C<3>,5|H<1>}	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O){2|C<3>,2|C<4>,4|H<1>}	111.4565	0.247	2	111.4565	0.061	2	111.4565	0.061	2	111.4565	0.061	2	119.3956	17.846	10	119.3956	17.846	10
486	486	622	6:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[6]	4:4:2:2:	4:2:4:4:	4:4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3)	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3){1|O<1>,4|H<1>,7|C<4>}	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	116.8113	15.770	6
486	486	622	6:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	116.8113	15.770	6
486	486	622	6:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,6]-4:C[3,5]-4:O[6]-2:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,6]-4:C[6,6]-4:	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H)	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(O[6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	116.8113	15.770	6
486	486	622	6:SP3_SP3_SP3	C[3,6]	C[3,6]	O[6]	4:2:4:4:	4:2:4:4:	4:4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[4,5,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2)	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2){1|N<3>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	112.5110	0.000	1	112.5110	0.000	1	112.0400	0.444	2	112.0400	0.444	2	114.6077	20.001	3	116.8113	15.770	6
486	486	622	6:SP3_SP3_SP3	C[3,6]	C[3,6]	O[6]	4:2:4:4:	4:2:4:4:	4:4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	C[4,5,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2)	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<3>,2|C<4>,4|H<1>}	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	111.5690	0.000	1	111.5690	0.000	1	112.0400	0.444	2	112.0400	0.444	2	114.6077	20.001	3	116.8113	15.770	6
486	486	622	6:SP3_SP3_SP3	C[3,6]	C[3,6]	O[6]	4:4:2:4:	4:4:4:4:	4:4:	C[3,6]-4:C[3]-4:O[6]-2:C-4:	C[3,6]-4:C[3]-4:S[6]-4:C-4:	C[3,6]-4:C[6]-4:	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3)	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3)	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3){1|C<4>,2|H<1>}	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|S<4>,2|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	114.6077	20.001	3	116.8113	15.770	6
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,3,6]	C[6a]	4:6:5:3:	4:6:5:3:	4:3:3:	C[3,3,6]-4:B[3x3,5]-6:B[3,5,6]-5:C[6a]-3:	C[3,3,6]-4:B[3x3,5]-6:B[3,5,6]-5:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2)	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3,5,6]B[3x3,5]C[3,3,6])(C[6a]C[6a]H)2	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[3,3,6](C[3,3,6]B[3,5,6]B[3x3,5]C[6a])(B[3x3,5]B[3,5,6]2C[3,3,6]IrH)(B[3,5,6]B[3x3,5]C[5,6]IrH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3,3,6]B[3,5,6]B[3x3,5]C[3,3,6])(C[6a]C[6a]H)2{1|Ir<10>,1|B<5>,1|C<4>,2|C<3>,4|H<1>}	125.3815	1.045	4	125.3815	1.092	4	125.3815	1.092	4	125.3815	1.092	4	124.8581	1.255	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,3,6]	C[6a]	5:4:4:3:	5:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	124.3830	1.184	2	124.3830	1.401	2	124.3830	1.401	2	124.3830	1.401	2	124.8581	1.255	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,3,6]	C[6a]	5:4:4:3:	5:4:4:4:	4:3:3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C-4:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C)(CCHH){7|C<3>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	123.7150	0.000	1	124.8581	1.255	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,5,6]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,3,6]B[3,3,6]C[3,5,6]P[3x3,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	124.1917	1.819	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,5,6]	C[6a]	5:4:4:3:	5:4:3:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	124.6475	1.299	2	124.6475	1.687	2	124.6475	1.687	2	124.7477	0.874	3	124.1917	1.819	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3,6]	C[3,5,6]	C[6a]	5:4:4:3:	5:4:3:3:	4:3:3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[6a]-3:C[6a]-3:	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	C[6a](C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.7477	0.874	3	124.1917	1.819	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3]	C[3,3]	C[6a]	4:4:4:3:	4:4:4:4:	4:3:3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[3,3]-4:C[3]-4:C[3]-4:S-4:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO)	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO){2|C<3>}	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	132.4231	0.941	9	132.4231	0.886	9	132.4231	0.886	9	132.4231	0.886	9	132.4231	0.886	9	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,3]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[3,3]-4:C[3,3]-4:H-1:H-1:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	C[3](C[3,3]C[3,3]C[6a]C[3])(C[3,3]C[3,3]C[3]S)(H)2	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3](C[3,3]C[3,3]C[6a]C[3])(C[3,3]C[3,3]C[3]S)(H)2{2|C<3>,2|H<1>}	C[6a](C[3,3]C[3,3]C[3]2)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,6|H<1>}	129.8094	1.332	18	129.8094	1.773	18	129.8094	1.773	18	129.8094	1.773	18	129.8094	1.773	18	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4,5]	C[3,4,5]	C[6a]	3:4:4:3:	4:3:3:1:	4:3:3:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[3,4,5]-4:N[3,4,4]-3:C[4,5]-3:H-1:	C[3,4,5]-4:C[6a]-3:C[6a]-3:	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H)	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,3]	C[6a]	7:4:3:3:	7:4:4:4:	4:3:3:	Nb[4x3,4]-7:C[3,3]-4:C[4]-3:C[6a]-3:	Nb[4x3,4]-7:C[3,4]-4:C[3,3]-4:C-4:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2)	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,4]Nb[4x3,4]C[6a]C[4])(C[3,3]Nb[4x3,4]C[3,3]H)(CH3)	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2	C[3,4](Nb[4x3,4]C[3,3]3N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[4]C[6a]N[4])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,4]Nb[4x3,4]C[6a]C[4])(C[3,3]Nb[4x3,4]C[3,3]H)(CH3){1|C<4>,5|C<3>}	C[6a](C[3,4]Nb[4x3,4]C[3,3]C[4])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:Br-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(Br)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(Br){2|H<1>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	127.5105	1.405	4	127.5105	1.975	4	128.0588	2.985	5	127.8377	2.681	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:Br-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(Br)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(Br){2|H<1>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	130.2520	0.000	1	130.2520	0.000	1	128.0588	2.985	5	127.8377	2.681	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:H-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(H)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(H){2|H<1>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	127.8377	2.681	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	123.9343	0.664	4	123.9343	0.441	4	124.0908	0.337	6	124.0908	0.337	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	124.5890	0.000	1	124.5890	0.000	1	124.0908	0.337	6	124.0908	0.337	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3,4]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	124.2190	0.000	1	124.2190	0.000	1	124.0908	0.337	6	124.0908	0.337	6	125.9642	5.201	12	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:H-1:H-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2Br)(H)2	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	125.9680	0.399	4	125.8050	0.253	5	125.6798	0.296	6	125.6798	0.296	6	125.6798	0.296	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:H-1:H-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2Br)(H)2	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]Br)(C[3]C[3,4]HH)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2Br)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	125.1530	0.000	1	125.8050	0.253	5	125.6798	0.296	6	125.6798	0.296	6	125.6798	0.296	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,4]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[3]-4:C[6a]-3:	C[3,4]-4:C[3,4]-4:H-1:H-1:	C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2)	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2H)(H)2	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2	C[3,4](C[3,4]C[3,4]C[6a]C[3])(C[3,4]C[3,4]C[3]H)(C[3]C[3,4]HH)(C[6a]C[6a]2){1|Br<1>,4|C<3>,4|H<1>}	C[3](C[3,4]C[3,4]2C[6a])(C[3,4]C[3,4]2H)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[3,4]C[3,4]2C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	125.0540	0.000	1	125.0540	0.000	1	125.6798	0.296	6	125.6798	0.296	6	125.6798	0.296	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5,5]-4:C[3,5,5]-4:C[6a]-3:C[5,5]-4:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]C)(C[5,5]C[3x5]HH)(H)	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC){3|C<3>,6|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]C)(C[5,5]C[3x5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,7|C<4>}	124.8250	0.000	1	124.8250	0.000	1	124.8250	0.000	1	124.8250	0.000	1	122.0780	5.358	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[6a]	4:4:3:4:	4:4:4:4:	4:3:3:	C[3,5,5]-4:C[3,5,5]-4:C[6a]-3:C[5,5]-4:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:C-4:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HH)(CH3)	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC){3|C<3>,6|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,7|C<4>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	122.0780	5.358	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[6a]	4:4:4:3:	4:4:2:1:	4:3:3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5,6]-4:C[6a]-3:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H)	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	123.0735	0.913	2	123.0735	0.833	2	123.0735	0.833	2	123.0735	0.833	2	122.0780	5.358	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5,6]-4:C[6a]-3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H)	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3,5,5]C[3,5,5]2C[5,5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.5135	1.664	2	121.5135	2.768	2	121.5135	2.768	2	121.5135	2.768	2	122.0780	5.358	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	127.7710	0.000	1	127.7710	0.000	1	127.7710	0.000	1	126.6285	2.611	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2{1|Se<1>,3|H<1>,6|C<3>}	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	126.6285	2.611	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	124.2925	5.155	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[6a](C[3,5,5]C[3,5]2P[5,5])(C[6a]C[6a]H)2{1|Se<1>,3|H<1>,6|C<3>}	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	124.2925	5.155	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,6|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	124.4160	0.000	1	124.4160	0.000	1	124.6360	0.097	2	124.6360	0.097	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H)	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,6|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	124.8560	0.000	1	124.8560	0.000	1	124.6360	0.097	2	124.6360	0.097	2	125.1857	2.845	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6,6]	C[3,5,6,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-4:C[6a]-3:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-4:H-1:	C[3,5,6,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(H)	C[6a](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]P[3,6,6])(C[6a]C[6a]H)2	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2){2|H<1>,3|C<3>,5|C<4>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(H){3|C<3>,5|C<4>}	C[6a](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]P[3,6,6])(C[6a]C[6a]H)2{1|N<3>,1|W<6>,2|C<3>,3|C<4>,3|H<1>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[3,5,6]C[3,3,6]P[3x3,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	118.8462	5.946	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[6a]	5:4:3:3:	5:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3x3,5]-5:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	120.4900	0.826	2	120.4900	0.682	2	120.4900	0.682	2	118.8003	8.906	3	118.8462	5.946	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,3,6]	C[6a]	5:4:3:3:	5:4:4:3:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	B[3x3,5]-5:C[3,5,6]-4:C[3,3,6]-4:C[6a]-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2)	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,9|C<3>}	C[3,3,6](B[3x3,5]C[3,3,6]C[3,5,6]2C[6a])(C[3,5,6]B[3x3,5]C[5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,5,6]C)(C[6a]C[6a]2){1|C<4>,2|F<1>,8|C<3>}	C[6a](C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	118.8003	8.906	3	118.8462	5.946	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6,6a]	4:3:3:2:	4:4:3:2:	4:3:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.9303	2.584	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	124.1970	0.000	1	124.1970	0.000	1	124.1997	3.441	3	124.1997	3.441	3	123.9303	2.584	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[5,6]C[5,6,6]HH)(H)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	124.2010	2.623	2	124.2010	6.882	2	124.1997	3.441	3	124.1997	3.441	3	123.9303	2.584	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6,6a]	3:4:4:2:	4:2:4:1:	4:3:3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	129.3665	0.081	2	129.3665	0.007	2	129.3665	0.007	2	129.3665	0.007	2	128.7802	13.972	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6,6a]	3:4:4:4:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	128.7802	13.972	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6,6a]	4:3:4:2:	4:4:2:3:	4:3:3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	132.6960	0.000	1	132.6960	0.000	1	132.6960	0.000	1	132.6960	0.000	1	128.7802	13.972	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,6,6]	C[6a]	4:4:4:3:	4:4:3:4:	4:3:3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	120.8900	0.686	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,6,6]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[4,6,6]-4:C-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[4,6,6]C[4,6,6]C[4]H)(CHO)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[4,6,6]C[4,6,6]C[4]H)(CHO){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.2390	0.298	3	120.8900	0.686	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,6,6]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[4,5,3x6]-4:C[3,5,6]-4:C[3,5,6]-4:C-3:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[3,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(CHO)	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(CHO){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[3,5,6]C[3,5,6]C[3,6,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	121.2910	0.761	2	121.2910	0.579	2	121.2910	0.579	2	121.2390	0.298	3	120.8900	0.686	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6a]-3:C[6a]-3:	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[3,5,6]C[3,5]C[3,6]C[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	C[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]N[5]C)(H)2	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	C[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]N[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[6a]	4:4:3:3:	4:3:4:4:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	126.5095	0.641	2	126.5095	0.411	2	126.5095	0.411	2	126.5095	0.411	2	124.7960	9.014	3	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5,5]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	124.7960	9.014	3	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5,6,6]	C[6a]	4:4:3:3:	4:4:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	129.8160	0.000	1	129.8160	0.000	1	129.8160	0.000	1	129.8160	0.000	1	129.8160	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	122.7550	15.490	2	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5,6]	C[6a]	4:4:2:3:	4:3:4:2:	4:3:3:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[3,5]C[3,5,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	125.5380	0.000	1	125.5380	0.000	1	125.5380	0.000	1	125.5380	0.000	1	122.7550	15.490	2	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	3:4:4:4:	4:4:3:1:	3:4:3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[6a,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H){2|C<4>,4|H<1>,6|C<3>}	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	3:4:4:4:	4:4:4:3:	3:4:3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[6a,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3]HH)2(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H){2|C<4>,4|H<1>,6|C<3>}	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:2:2:	4:4:2:4:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]O[3]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	132.5870	0.000	1	132.5870	0.000	1	132.5870	0.000	1	132.5870	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:2:3:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	128.7250	0.000	1	128.7250	0.000	1	128.7250	0.000	1	128.7250	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:3:2:	4:3:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	127.8230	0.000	1	127.8230	0.000	1	127.8230	0.000	1	127.8230	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:3:3:	4:3:3:1:	4:3:3:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	125.7660	0.499	2	125.7660	0.249	2	125.7660	0.249	2	125.7660	0.249	2	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:3:3:	4:3:3:4:	4:3:3:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	127.1630	0.000	1	127.1630	0.000	1	127.1630	0.000	1	127.1630	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:4:2:	4:2:3:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:2:	4:3:2:1:	4:3:3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H)	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[3,5]C[3,5]C[5,6]O[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:2:	4:4:2:3:	4:3:3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	C[6a](C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	125.7630	0.000	1	125.7630	0.000	1	125.7630	0.000	1	125.7630	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:2:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	130.7430	0.000	1	130.7430	0.000	1	130.7430	0.000	1	130.7430	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	C[6a](C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	118.4150	0.000	1	118.4150	0.000	1	118.4150	0.000	1	121.4517	9.947	3	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,5]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5,5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.9700	2.462	2	122.9700	6.062	2	122.9700	6.062	2	121.4517	9.947	3	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.9985	0.115	2	122.9985	0.013	2	122.9985	0.013	2	122.9985	0.013	2	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	124.2570	0.000	1	124.2570	0.000	1	124.0577	1.355	4	124.0577	1.355	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	122.3970	0.000	1	122.3970	0.000	1	124.0577	1.355	4	124.0577	1.355	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	125.1040	0.000	1	125.1040	0.000	1	124.0577	1.355	4	124.0577	1.355	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	124.4730	0.000	1	124.4730	0.000	1	124.0577	1.355	4	124.0577	1.355	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	127.5725	0.142	2	127.5725	0.020	2	127.5725	0.020	2	127.5725	0.020	2	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,6|H<1>}	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN){2|C<3>,6|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	126.7830	0.000	1	126.7830	0.000	1	124.5232	3.135	5	124.5232	3.135	5	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	125.6280	0.000	1	125.6280	0.000	1	124.5232	3.135	5	124.5232	3.135	5	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	123.8750	0.000	1	123.8750	0.000	1	124.5232	3.135	5	124.5232	3.135	5	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,5|H<1>}	122.1400	0.000	1	122.1400	0.000	1	124.5232	3.135	5	124.5232	3.135	5	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|C<3>,6|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,7|H<1>}	124.1900	0.000	1	124.1900	0.000	1	124.5232	3.135	5	124.5232	3.135	5	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,5|H<1>}	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:3:4:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	126.4020	0.000	1	126.4020	0.000	1	126.4020	0.000	1	126.4020	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:3:4:1:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{4|C<3>,6|H<1>}	126.0660	0.000	1	126.0660	0.000	1	126.0660	0.000	1	126.0660	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H)	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:2:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	127.4660	0.000	1	127.4660	0.000	1	127.4660	0.000	1	127.4660	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	128.2525	0.052	2	128.2525	0.003	2	128.2525	0.003	2	128.2525	0.003	2	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:3:4:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|H<1>,5|C<3>}	127.2060	0.000	1	127.2060	0.000	1	127.2060	0.000	1	127.2060	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(H)	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	122.3585	4.005	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[3,5]HH)(H)	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[3,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	122.6590	0.000	1	122.6590	0.000	1	122.6590	0.000	1	122.3585	4.005	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3585	4.005	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	124.6740	0.000	1	124.6740	0.000	1	124.6740	0.000	1	122.3585	4.005	4	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	129.8310	0.000	1	129.8310	0.000	1	129.0402	0.510	4	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	129.3310	0.000	1	129.3310	0.000	1	129.0402	0.510	4	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	128.8430	0.000	1	128.8430	0.000	1	129.0402	0.510	4	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	128.1560	0.000	1	128.1560	0.000	1	129.0402	0.510	4	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	128.4850	0.000	1	128.4850	0.000	1	128.6190	0.204	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	128.2490	0.000	1	128.6860	0.382	2	128.6190	0.204	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	129.1230	0.000	1	128.6860	0.382	2	128.6190	0.204	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	128.9740	0.000	1	128.9740	0.000	1	128.8043	1.453	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	129.9160	0.000	1	128.7195	2.863	2	128.8043	1.453	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:3:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	127.5230	0.000	1	128.7195	2.863	2	128.8043	1.453	3	128.8431	0.573	10	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,5]	C[6a]	4:4:4:3:	4:4:4:4:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	123.4250	0.000	1	123.4250	0.000	1	123.4250	0.000	1	123.4250	0.000	1	125.8476	9.209	54	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3,6,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5,6,6]-4:C[3,6,6]-4:C[6a]-3:C[5]-3:	C[3,5,6,6]-4:C[3,5]-4:C[3x6]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H)	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5,6,6]C[3,6,6]C[3x6]C[5])(C[3,6,6]C[3,5,6,6]C[3x6]H)(C[6a]C[6a]2)(C[5]N[5]O){1|S<4>,2|N<3>,4|C<3>,6|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5]C[3x6]C[5])(C[3,5]C[3,5,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5,6,6]C[3,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	129.4640	0.000	1	129.4640	0.000	1	129.4640	0.000	1	129.4640	0.000	1	129.4640	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	121.6310	0.000	1	121.6310	0.000	1	121.6310	0.000	1	121.6310	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	3:4:3:4:	4:3:3:1:	4:3:3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	122.1050	0.000	1	122.1050	0.000	1	122.1050	0.000	1	122.1050	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6a]-3:C[3,5]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[6a,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H)	C[3,5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3]2C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH){3|C<3>,7|H<1>}	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,5]2C[3])(C[6a]C[6a,6a]H){2|C<4>,4|H<1>,6|C<3>}	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.4220	1.624	2	121.4220	2.636	2	121.4220	2.636	2	121.4220	2.636	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5,6]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[3](C[3,5]C[3,5,6]C[5,6a]C[6a])(C[3,5,6]C[3,5]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[3,5]C[3,5,6]C[5,6a]C[3])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	122.4090	0.000	1	122.4090	0.000	1	122.4090	0.000	1	122.4090	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H)	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[3,5]C[3,5]C[3]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]N){1|S<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	121.4040	0.000	1	121.4040	0.000	1	122.2340	2.533	3	122.2340	2.533	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|S<4>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	124.0690	0.000	1	124.0690	0.000	1	122.2340	2.533	3	122.2340	2.533	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	121.2290	0.000	1	121.2290	0.000	1	122.2340	2.533	3	122.2340	2.533	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	128.2105	0.497	2	128.2105	0.247	2	128.2105	0.247	2	124.0864	15.198	5	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	124.0864	15.198	5	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.1365	0.128	2	122.1365	0.016	2	122.1365	0.016	2	124.0864	15.198	5	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:3:	4:4:3:3:	4:3:3:	C[3]-4:P[3,5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:P[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,7|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](C[3,5]P[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,3|H<1>,4|C<3>}	121.1580	0.000	2	121.1580	0.000	2	121.1580	0.000	2	121.1580	0.000	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(H)2{3|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	123.1880	0.000	1	123.1880	0.000	1	121.9073	2.704	3	121.9073	2.704	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<4>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,5|H<1>}	120.0530	0.000	1	120.0530	0.000	1	121.9073	2.704	3	121.9073	2.704	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|C<3>,6|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,7|H<1>}	122.4810	0.000	1	122.4810	0.000	1	121.9073	2.704	3	121.9073	2.704	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCO)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCO)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	123.0503	5.932	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,5|H<1>}	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	123.0503	5.932	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,6|H<1>}	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	123.0503	5.932	3	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C-3:C-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(COO)2	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN){2|C<3>,6|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(COO)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CH3)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CH3)(H){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[3](C[3,5]C[3,5]2C[6a])(C[3,5]C[3,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,5]C[3,5]2C[3])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	120.1300	0.000	1	120.1300	0.000	1	120.1300	0.000	1	119.6215	0.517	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5]H)(H)2	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	C[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]C[5,6]C[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	119.1130	0.000	1	119.1130	0.000	1	119.1130	0.000	1	119.6215	0.517	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[5,5]C)(COO)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[5,5]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	121.5940	0.000	1	121.5940	0.000	1	122.4725	6.400	4	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(CCH)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(CCH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	119.3060	0.000	1	119.3060	0.000	1	122.4725	6.400	4	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(CCH)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(CCH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	124.1630	0.000	1	124.1630	0.000	1	122.4725	6.400	4	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(COO)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(COO)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	124.8270	0.000	1	124.8270	0.000	1	122.4725	6.400	4	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	118.6390	0.000	1	118.6390	0.000	1	121.4508	13.688	6	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	125.9440	1.795	2	124.1947	10.791	3	121.4508	13.688	6	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	120.6960	0.000	1	124.1947	10.791	3	121.4508	13.688	6	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	118.7410	1.295	2	118.7410	1.678	2	121.4508	13.688	6	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CCH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.6440	0.000	1	116.6440	0.000	1	118.3325	5.702	2	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)(CC[6a]O)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{4|C<3>,6|H<1>}	120.0210	0.000	1	120.0210	0.000	1	118.3325	5.702	2	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(COO)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(COO)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|H<1>,5|C<3>}	120.9410	0.000	1	120.9410	0.000	1	121.7187	0.463	3	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	122.2020	0.000	1	122.1075	0.018	2	121.7187	0.463	3	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[3,5]C[3,5]C[5,5]C[3])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	122.0130	0.000	1	122.1075	0.018	2	121.7187	0.463	3	121.2953	7.935	16	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[5]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]2H)(CCHH)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]2H)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	121.4705	17.387	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,5]	C[3]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	121.4705	17.387	2	121.6190	6.769	48	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.1640	0.226	2	120.1640	0.051	2	120.1640	0.051	2	120.1640	0.051	2	118.5173	2.950	14	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6,6]	C[3,6]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3,6,6]C[3,6]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	118.2428	1.705	12	118.2428	2.907	12	118.2428	2.907	12	118.2428	2.907	12	118.5173	2.950	14	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6a]	4:4:3:3:	4:3:4:4:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.6745	0.006	2	122.6745	0.000	2	122.6745	0.000	2	122.6745	0.000	2	121.8057	4.684	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.4560	0.000	1	124.4560	0.000	1	124.4560	0.000	1	124.4560	0.000	1	121.8057	4.684	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6a]	4:4:3:3:	4:4:4:4:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	121.3390	0.610	2	121.3390	0.372	2	121.7620	0.723	3	121.7620	0.723	3	121.8057	4.684	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6a]	4:4:3:3:	4:4:4:4:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	122.6080	0.000	1	122.6080	0.000	1	121.7620	0.723	3	121.7620	0.723	3	121.8057	4.684	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	121.8057	4.684	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6,6a]	4:3:3:2:	3:4:4:2:	4:3:3:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.5650	1.035	2	118.5650	1.072	2	118.5650	1.072	2	118.5650	1.072	2	122.9052	15.987	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	127.3670	0.914	2	127.3670	0.835	2	127.3670	0.835	2	127.3670	0.835	2	122.9052	15.987	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[3,6]-4:C[3,5]-4:C[5]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H)	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	122.7835	0.713	2	122.7835	0.509	2	122.7835	0.509	2	122.7835	0.509	2	122.9052	15.987	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.8880	1.650	2	119.8880	2.724	2	119.8880	2.724	2	120.5220	2.568	3	122.5518	6.785	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	120.5220	2.568	3	122.5518	6.785	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[3,5]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[3,5]C[3,5]C[3]O)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	124.7095	1.992	2	124.7095	3.968	2	124.7095	3.968	2	124.5817	2.033	3	122.5518	6.785	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[3,6]C[3,5,6]C[3,5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.3260	0.000	1	124.3260	0.000	1	124.3260	0.000	1	124.5817	2.033	3	122.5518	6.785	6	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6a]	4:4:2:3:	4:3:2:3:	4:3:3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.2070	0.000	1	122.2070	0.000	1	122.0153	0.942	3	122.0153	0.942	3	122.0136	0.823	5	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6a]	4:4:2:3:	4:3:2:3:	4:3:3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[3,6]C[3,6,6]C[6]O[3])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.9195	1.353	2	121.9195	1.830	2	122.0153	0.942	3	122.0153	0.942	3	122.0136	0.823	5	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	122.0136	0.823	5	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6a]	4:4:3:3:	4:4:4:2:	4:3:3:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6]-4:O[6]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6])	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6a]2O[6])(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.0136	0.823	5	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[6a]C[3])(C[3]C[3,6]CH)(C[6]O[6]HH)(H){1|C<4>,3|C<3>}	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	119.6160	0.000	1	119.6160	0.000	1	119.6160	0.000	1	119.6160	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:3:2:3:	4:4:2:1:	4:3:3:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[3,6]C[3,6]N[6]O[3])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:3:3:3:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:3:4:2:	4:2:3:1:	4:3:3:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:3:4:4:	4:3:4:1:	3:4:3:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[6a,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:2:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[3,6]C[3,6]C[6]O[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[3,6]C[3,6]C[5,6]O[3])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:3:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	119.3005	0.626	4	119.3005	0.391	4	119.3005	0.391	4	119.1377	0.248	9	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:3:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	119.0074	0.393	5	119.0074	0.155	5	119.0074	0.155	5	119.1377	0.248	9	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	117.5790	7.357	2	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|O<1>,4|C<3>,4|H<1>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	117.5790	7.357	2	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	120.3085	1.218	4	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,6|H<1>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	120.3085	1.218	4	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	120.5040	0.000	1	120.5040	0.000	1	120.8710	0.269	2	120.3085	1.218	4	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	121.2380	0.000	1	121.2380	0.000	1	120.8710	0.269	2	120.3085	1.218	4	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:4:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|C<4>,1|O<1>,1|S<4>,2|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:4:	4:3:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	126.7850	0.000	1	126.7850	0.000	1	126.7850	0.000	1	126.7850	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6a]	4:4:3:4:	4:4:4:4:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]N[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	118.4390	0.000	1	118.4390	0.000	1	118.4390	0.000	1	118.4390	0.000	1	119.7709	4.337	27	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:N[3,6]-3:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H)	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H){1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2{1|O<2>,3|C<3>}	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,6|H<1>}	118.9880	0.431	2	118.9880	0.186	2	118.9880	0.186	2	118.9880	0.186	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[3]C[3]HH)2{2|C<4>,3|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	118.3425	0.889	2	118.3425	0.790	2	118.3425	0.790	2	118.2385	1.988	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]2C[3])(C[3]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])2(C[3]C[3]HH)2{1|S<4>,2|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]2C[3])(C[3]C[3,6]HH)(H)2{4|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	118.1865	1.743	4	118.1865	3.039	4	118.1865	3.039	4	118.2385	1.988	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6,6]H)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]N[6])(C[3,6]C[6,6a]C[3,6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9900	0.325	2	118.9900	0.106	2	118.9900	0.106	2	118.9900	0.106	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.5120	0.000	1	121.5120	0.000	1	120.4337	1.128	3	120.4337	1.128	3	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.8945	0.715	2	119.8945	0.511	2	120.4337	1.128	3	120.4337	1.128	3	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:B[5]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	117.5880	0.000	1	117.5880	0.000	1	117.5880	0.000	1	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]C)(CCH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.7100	0.000	1	120.7100	0.000	1	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	119.4720	0.000	1	119.4720	0.000	1	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)(H){1|N<3>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	117.2590	0.000	1	117.2590	0.000	1	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|F<1>,1|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	119.0140	1.424	2	119.0140	2.028	2	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	118.7430	0.000	1	118.7430	0.000	1	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H){1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.3135	0.114	2	121.3135	0.013	2	119.6049	2.295	8	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	118.5340	0.000	1	119.2980	1.167	2	119.2980	1.167	2	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.0620	0.000	1	119.2980	1.167	2	119.2980	1.167	2	119.4067	1.916	12	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCH)(COO)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.5320	0.000	1	118.5320	0.000	1	120.4417	10.302	4	120.4417	10.302	4	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCO)(COO)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CCO)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	123.1410	0.718	2	123.1410	0.516	2	120.4417	10.302	4	120.4417	10.302	4	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-3:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CC[6a]O)2{1|O<2>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.9530	0.000	1	116.9530	0.000	1	120.4417	10.302	4	120.4417	10.302	4	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3){3|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:Br-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]HH)(Br)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]HH)(Br){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	120.7400	0.055	2	120.7400	0.003	2	120.7400	0.003	2	120.7400	0.003	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO){1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[5,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CC)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.5695	0.497	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2{1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	122.5695	0.497	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(Cl)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	116.5040	0.000	1	116.5040	0.000	1	116.5040	0.000	1	117.4740	1.882	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	117.4740	1.882	2	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	118.9735	0.025	2	118.9735	0.001	2	118.9735	0.001	2	120.2096	1.386	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	120.8005	0.351	2	120.8005	0.124	2	121.0337	0.225	3	120.2096	1.386	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.0337	0.225	3	120.2096	1.386	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO)	C[3](C[3,6]C[6,6a]C[3,6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO){1|O<2>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[3]-4:C-4:C-4:	C[5,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	119.3340	5.182	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]C[6a]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	119.3340	5.182	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	120.0620	3.319	2	119.4057	8.536	4	119.4057	8.536	4	119.3340	5.182	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[3]C[3]HH)2{2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	118.7495	3.587	2	119.4057	8.536	4	119.4057	8.536	4	119.3340	5.182	6	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[3,6]C[3])(C[3]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2{3|C<3>,5|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]C[3])(C[3]C[3,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	120.6085	1.038	4	120.6085	1.078	4	120.6085	1.078	4	119.7535	3.208	11	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[3,6]-4:C[3,6]-4:F-1:F-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]N[6])(C[3,6]C[3,6]C[6]H)(F)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	119.9020	0.000	1	119.9020	0.000	1	119.9020	0.000	1	119.7535	3.208	11	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[4,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[4,6]C[3])(C[3]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(C[3]C[3]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[3](C[3,6]C[6,6a]C[4,6]C[3])(C[3]C[3,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	118.7090	2.619	4	118.7090	6.861	4	118.7090	6.861	4	119.7535	3.208	11	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2{2|C<4>,2|H<1>,3|C<3>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	120.0585	0.876	2	120.0585	0.768	2	120.0585	0.768	2	119.7535	3.208	11	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:2:1:	3:4:3:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:O-2:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	3:4:4:4:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[3,6]C[5,6]C[3]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[6,6a]C[3,6]H)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[6,6a]C[3,6]H)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.7852	1.051	5	120.7852	1.104	5	120.7852	1.104	5	120.7852	1.104	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:1:	4:4:3:1:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	120.9642	3.160	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H){3|H<1>,7|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.3795	1.391	4	120.3795	1.935	4	120.3795	1.935	4	120.9642	3.160	5	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	119.6776	3.391	79	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2{1|N<3>,5|C<3>}	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	120.5410	0.000	1	120.5410	0.000	1	120.5410	0.000	1	120.5410	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	3:4:3:2:	4:3:4:1:	4:3:3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	118.5805	0.295	2	118.5805	0.087	2	118.5805	0.087	2	118.5805	0.087	2	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[3,6]C[5a,6]C[3,6]C[3])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H)	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[3,6]C[3,6]C[6,6]C[3])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:3:4:4:	4:4:4:1:	3:4:3:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6a,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:3:4:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|O<1>,4|C<3>,4|H<1>}	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	117.7110	0.000	1	117.7110	0.000	1	118.8155	2.440	2	120.5643	3.006	7	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,6|H<1>}	119.9200	0.000	1	119.9200	0.000	1	118.8155	2.440	2	120.5643	3.006	7	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[6,6a]C[3,6]H)(H)2	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[6,6a]C[3,6]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]N[6])(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	121.2638	1.326	5	121.2638	1.759	5	121.2638	1.759	5	120.5643	3.006	7	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	120.3370	0.000	1	118.6820	5.478	2	118.6820	5.478	2	118.6820	5.478	2	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	117.0270	0.000	1	118.6820	5.478	2	118.6820	5.478	2	118.6820	5.478	2	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[3]C[3]2H)(H){3|H<1>,7|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	119.1702	1.001	4	119.1702	1.002	4	119.1702	1.002	4	119.1702	1.002	4	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3](C[3,5,6]C[3x5,6,6]C[5,6a]C[3,6])(C[3,6]C[3,5,6]C[6a]C[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,5,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	119.3080	3.494	3	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]C)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.1735	2.493	2	119.3080	3.494	3	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	119.0570	0.000	1	119.0570	0.000	1	120.1735	2.493	2	119.3080	3.494	3	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3,6]	C[3]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H)	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]C)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	120.0449	3.479	25	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,4]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[6a]-3:C-3:	C[3,4]-4:C[3,4]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO)	C[3,4](C[3,4]C[3,4]C[3]H)2(C[3]C[3,4]C[6a]C)(H)	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[3,4](C[3,4]C[3,4]C[3]H)2(C[3]C[3,4]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a](C[3]C[3,4]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	117.4150	0.058	2	117.4150	0.003	2	117.4150	0.003	2	116.9992	4.242	6	117.0764	3.577	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,4]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,4]-4:C[3,4]-4:C[6a]-3:C[6a]-3:	C[3,4]-4:C[3,4]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2	C[3,4](C[3,4]C[3,4]C[3]H)2(C[3]C[3,4]C[6a]2)(H)	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,4]C[3,4]2H)2(C[6a]C[6a]2)2{1|C<4>,4|C<3>,6|H<1>}	C[3,4](C[3,4]C[3,4]C[3]H)2(C[3]C[3,4]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[3]C[3,4]2C[6a])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.7912	2.626	4	116.7912	6.896	4	116.7912	6.896	4	116.9992	4.242	6	117.0764	3.577	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,4]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[3,4]-4:C[3]-4:C[6a]-3:C-3:	C[3]-4:C[4]-4:C[3]-4:C[4]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO)	C[3,4](C[3]C[6a]C[3]C)(C[4]C[6a]N[4]H)(C[3]C[3]HH)(C[4]N[4]O)	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3,4](C[3]C[6a]C[3]C)(C[4]C[6a]N[4]H)(C[3]C[3]HH)(C[4]N[4]O){5|C<3>}	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	117.0764	3.577	7	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:2:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.3065	0.033	2	120.3065	0.001	2	120.3065	0.001	2	120.3065	0.001	2	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	117.7390	0.044	2	117.7105	1.490	4	117.7365	1.591	14	117.7365	1.591	14	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.6820	2.113	2	117.7105	1.490	4	117.7365	1.591	14	117.7365	1.591	14	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](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[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[3,5,6,6](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[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.2690	0.327	2	117.2690	0.107	2	117.7365	1.591	14	117.7365	1.591	14	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	3:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8664	1.490	8	117.8664	2.220	8	117.7365	1.591	14	117.7365	1.591	14	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.0400	0.000	1	116.0400	0.000	1	115.6312	0.134	4	115.6312	0.134	4	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(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[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(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[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.4950	0.301	3	115.4950	0.090	3	115.6312	0.134	4	115.6312	0.134	4	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.4560	0.000	1	116.4560	0.000	1	116.4207	0.098	4	116.4207	0.098	4	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6,6]	C[6a]	4:4:3:4:	4:3:4:4:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.4090	0.383	3	116.4090	0.147	3	116.4207	0.098	4	116.4207	0.098	4	117.3805	2.444	24	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	120.0890	6.908	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C[6a]H)(H)	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C[6a]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	118.3220	1.167	2	118.3220	1.361	2	118.3220	1.361	2	118.3220	1.361	2	120.0890	6.908	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5,6]	C[6a]	4:4:3:2:	4:3:4:4:	4:3:3:	C[3,5,6]-4:C[3]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH)	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0890	6.908	4	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	3:4:3:1:	4:3:4:3:	4:3:3:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	123.4160	0.000	1	123.4160	0.000	1	123.4160	0.000	1	123.4160	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:2:1:	3:4:3:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8000	0.000	1	123.8000	0.000	1	123.8000	0.000	1	123.8000	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:2:1:	4:3:3:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,3|C<3>}	121.8420	0.755	2	123.2293	6.059	3	123.2293	6.059	3	123.2293	6.059	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:2:1:	4:3:3:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	126.0040	0.000	1	123.2293	6.059	3	123.2293	6.059	3	123.2293	6.059	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:2:1:	4:4:2:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.2500	3.421	2	125.2500	11.703	2	125.2500	11.703	2	125.2500	11.703	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:2:4:	4:4:4:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	120.6460	0.000	1	120.6460	0.000	1	120.6460	0.000	1	120.6460	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	120.4740	0.801	4	120.4740	0.641	4	120.4740	0.641	4	120.4740	0.641	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.9950	0.516	2	119.9950	0.516	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	120.5030	0.000	1	120.5030	0.000	1	119.9950	0.516	2	119.9950	0.516	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	123.5215	0.319	2	123.5215	0.102	2	123.5215	0.102	2	123.5215	0.102	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	120.6000	0.000	1	120.6000	0.000	1	122.3405	6.059	2	122.9950	4.314	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	124.0810	0.000	1	124.0810	0.000	1	122.3405	6.059	2	122.9950	4.314	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	124.3040	0.000	1	124.3040	0.000	1	124.3040	0.000	1	122.9950	4.314	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	118.3735	0.210	2	118.3735	0.044	2	118.3735	0.044	2	118.3735	0.044	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	123.8380	0.000	1	123.8380	0.000	1	123.8380	0.000	1	123.8380	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	124.0995	0.541	2	124.0995	0.293	2	124.0995	0.293	2	124.0995	0.293	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.3960	0.000	1	126.3960	0.000	1	126.3960	0.000	1	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	125.2440	0.000	1	125.2440	0.000	1	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	124.2823	1.027	3	123.0616	4.586	9	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.2490	0.000	1	123.0616	4.586	9	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.7410	0.000	1	123.0616	4.586	9	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.4000	1.868	2	123.0616	4.586	9	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.9585	1.568	2	123.0616	4.586	9	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	121.8820	0.000	1	121.8820	0.000	1	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.1130	0.000	1	119.1130	0.000	1	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.3687	0.174	3	120.3687	0.030	3	122.3266	5.154	15	122.6598	5.585	17	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CH){4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	125.8400	0.000	1	125.8400	0.000	1	123.3493	4.653	3	122.9960	3.601	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN){4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.0950	0.000	1	122.0950	0.000	1	123.3493	4.653	3	122.9960	3.601	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN){4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	122.1130	0.000	1	122.1130	0.000	1	123.3493	4.653	3	122.9960	3.601	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	122.9960	3.601	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.0880	0.000	1	120.0880	0.000	1	121.7040	5.223	2	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.3200	0.000	1	123.3200	0.000	1	121.7040	5.223	2	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.2160	0.000	1	121.7200	0.492	2	120.2330	1.254	8	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.2240	0.000	1	121.7200	0.492	2	120.2330	1.254	8	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	118.7750	0.000	1	119.8425	2.279	2	120.2330	1.254	8	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.9100	0.000	1	119.8425	2.279	2	120.2330	1.254	8	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.6848	0.160	4	119.6848	0.026	4	120.2330	1.254	8	120.5272	1.940	10	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S[5]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	122.1305	0.773	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	122.1305	0.773	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	128.9160	1.652	2	128.9160	2.728	2	128.9160	2.728	2	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5])(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.5200	0.028	2	121.5200	0.001	2	119.9560	2.931	5	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(COO){1|H<1>,3|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.9133	1.336	3	118.9133	1.786	3	119.9560	2.931	5	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]2)2(C[6a]C[6a]2)(H){2|H<1>,4|O<1>,6|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,6|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	124.3670	1.037	2	124.3670	1.075	2	124.3670	1.075	2	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-3:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO){2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5580	0.693	2	118.5580	0.480	2	118.5580	0.480	2	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	123.4295	1.279	2	123.4295	1.636	2	123.4295	1.636	2	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,3|C<3>}	123.6710	0.000	1	123.6710	0.000	1	123.6710	0.000	1	122.4280	13.339	14	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.8780	0.552	2	122.8780	0.304	2	122.8780	0.304	2	124.1742	7.168	5	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	128.9270	0.000	1	128.9270	0.000	1	128.9270	0.000	1	124.1742	7.168	5	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	124.1742	7.168	5	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	124.1742	7.168	5	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	123.9580	0.417	2	123.9580	0.174	2	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	122.2533	1.040	4	122.2533	1.082	4	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	122.7210	0.000	1	122.7210	0.000	1	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.1280	0.528	3	123.1280	0.279	3	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){3|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.9130	0.079	2	122.8337	0.022	3	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	122.6750	0.000	1	122.8337	0.022	3	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.0300	1.283	2	123.0300	1.645	2	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.7610	0.000	1	120.2045	2.298	4	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.5260	0.000	1	120.2045	2.298	4	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7655	2.368	2	120.2045	2.298	4	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	122.1827	0.730	4	122.1827	0.533	4	122.3106	1.883	23	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	122.2395	1.923	24	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,9|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	120.6885	1.481	2	120.6885	2.195	2	122.6560	6.850	6	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	120.0000	0.000	1	120.0000	0.000	1	122.6560	6.850	6	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	125.1325	1.520	2	124.8530	1.389	3	122.6560	6.850	6	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.2940	0.000	1	124.8530	1.389	3	122.6560	6.850	6	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.2570	0.000	1	120.8940	0.812	2	120.1655	1.684	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.5310	0.000	1	120.8940	0.812	2	120.1655	1.684	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CHO)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CHO){2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	120.4660	0.000	1	120.4660	0.000	1	120.1655	1.684	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.4080	0.000	1	118.4080	0.000	1	120.1655	1.684	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<4>,4|H<1>,8|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	121.4950	0.000	1	121.4950	0.000	1	123.0583	2.068	3	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	123.3550	0.000	1	123.8400	0.470	2	123.0583	2.068	3	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|H<1>,7|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.3250	0.000	1	123.8400	0.470	2	123.0583	2.068	3	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	118.5360	0.000	1	118.5360	0.000	1	118.7597	1.011	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	118.8343	1.218	3	118.8343	1.484	3	118.7597	1.011	4	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	121.1488	5.480	19	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5,6]2H)(C[5]C[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5,6]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|S<4>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	122.2260	0.000	1	122.2260	0.000	1	120.7215	1.580	6	120.7215	1.580	6	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]C[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|S<4>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	121.1090	0.000	1	121.1090	0.000	1	120.7215	1.580	6	120.7215	1.580	6	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	119.6545	1.739	2	120.2485	1.530	4	120.7215	1.580	6	120.7215	1.580	6	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,3|C<3>,5|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	121.1210	0.000	1	120.2485	1.530	4	120.7215	1.580	6	120.7215	1.580	6	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	120.5640	0.000	1	120.2485	1.530	4	120.7215	1.580	6	120.7215	1.580	6	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	3:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.0000	0.000	1	120.0000	0.000	1	118.4925	4.545	2	118.4925	4.545	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	116.9850	0.000	1	116.9850	0.000	1	118.4925	4.545	2	118.4925	4.545	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:2:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	121.0537	0.774	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:2:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.2790	0.000	1	121.5390	0.135	2	121.5390	0.135	2	121.0537	0.774	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:2:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	121.7990	0.000	1	121.5390	0.135	2	121.5390	0.135	2	121.0537	0.774	3	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:2:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO){2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	123.4495	0.173	2	123.4495	0.030	2	123.4495	0.030	2	123.4495	0.030	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:P[3,5]-4:C[6a]-3:C[6a]-3:	C[3]-4:P[3,5]-4:C[6a]-3:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]S[5]W)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]S[5]W)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,7|C<3>}	C[6a](C[3]C[3,5]P[3,5]C[6a])(C[6a]C[6a]H)2{1|S<2>,1|W<6>,2|H<1>,5|C<3>}	117.9920	2.289	4	117.9920	5.238	4	117.9920	5.238	4	117.9920	5.238	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[3]-4:C[3,5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]C)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO){2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]C)(H){1|C<4>,4|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6250	0.181	2	120.6250	0.033	2	120.6250	0.033	2	119.4603	10.934	9	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	122.5005	1.066	2	122.5005	1.136	2	119.1276	13.992	7	119.4603	10.934	9	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.9920	0.000	1	122.9920	0.000	1	119.1276	13.992	7	119.4603	10.934	9	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO){1|N<3>,4|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	118.5240	0.438	2	118.5240	0.192	2	119.1276	13.992	7	119.4603	10.934	9	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CNO){1|N<3>,4|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	114.4260	0.030	2	114.4260	0.001	2	119.1276	13.992	7	119.4603	10.934	9	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:3:	4:4:4:4:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3]-4:C[3,5]-4:C[5]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CCHH)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	123.0105	1.344	2	123.0105	1.807	2	123.0105	1.807	2	123.0105	1.807	2	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:4:	3:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	119.7500	0.000	1	119.7500	0.000	1	119.7500	0.000	1	119.7500	0.000	1	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	113.7385	1.111	2	117.3235	17.719	4	117.3235	17.719	4	117.3235	17.719	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,5]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H)	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.9085	0.718	2	117.3235	17.719	4	117.3235	17.719	4	117.3235	17.719	4	121.6015	6.947	158	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6,6]	C[6a]	4:4:3:1:	4:4:4:1:	3:4:3:	C[3,6,6]-4:C[3,6,6]-4:C[6a]-3:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:H-1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H)	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	121.2730	3.001	2	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6,6]	C[6a]	4:4:3:1:	4:4:4:4:	3:4:3:	C[3,6,6]-4:C[3,6,6]-4:C[6a]-3:H-1:	C[3,6,6]-4:C[3]-4:C[4,6,6]-4:C-4:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[3]C[3,6,6]C[6a]H)(C[4,6,6]C[4,6]2H)(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H)	C[3](C[3,6,6]C[3,6,6]C[4,6,6]C)(C[3,6,6]C[3,6,6]C[6,6]H)(C[6a]C[5,6a]C[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]H)(C[3]C[3,6,6]C[6a]H)(C[4,6,6]C[4,6]2H)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[3]C[3,6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	121.2730	3.001	2	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:2:1:	4:3:3:2:	4:3:3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	125.3243	1.122	3	125.3243	1.260	3	125.3243	1.260	3	127.1846	7.119	5	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:2:1:	4:3:3:2:	4:3:3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>}	129.9750	0.023	2	129.9750	0.001	2	129.9750	0.001	2	127.1846	7.119	5	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,6]O[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.5720	0.000	1	122.8960	0.210	2	122.8960	0.210	2	122.8960	0.210	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2200	0.000	1	122.8960	0.210	2	122.8960	0.210	2	122.8960	0.210	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:3:2:	4:3:4:2:	4:3:2:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:3:2:	4:3:4:2:	4:3:3:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:4:1:	4:4:3:1:	3:4:3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:3:4:1:	4:4:3:3:	3:4:3:	C[3,6]-4:C[6a]-3:C[3,6]-4:H-1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[6a]C[6a,6a]C[6a])(C[3,6]C[3,6]C[6]H)(H){1|H<1>,2|O<1>,7|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3,6]2H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	119.8448	2.380	6	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	117.4360	0.000	1	117.4360	0.000	1	118.7847	1.435	3	119.8448	2.380	6	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)2(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	119.4590	0.376	2	119.4590	0.142	2	118.7847	1.435	3	119.8448	2.380	6	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	121.1640	1.372	2	121.1640	1.882	2	121.1640	1.882	2	119.8448	2.380	6	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	122.0600	1.376	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.4485	0.361	2	121.4485	0.131	2	121.4833	0.069	3	122.0600	1.376	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	121.5530	0.000	1	121.5530	0.000	1	121.4833	0.069	3	122.0600	1.376	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:N[6]-3:N[6]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH){1|C<4>,2|O<1>,6|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	125.7700	0.000	1	125.7700	0.000	1	125.7700	0.000	1	125.7700	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[3,5,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,6a]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[3]C[3,5,6]C[3,6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	122.0785	0.337	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]C[6a])(C[3,6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	122.0785	0.337	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:2:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	123.8765	0.569	2	123.8765	0.324	2	124.3860	0.681	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]F)2(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F){1|Cl<1>,2|F<1>,3|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	124.8955	0.825	2	124.8955	0.681	2	124.3860	0.681	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	121.0100	0.000	1	121.0100	0.000	1	120.3570	0.593	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.3570	0.593	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.5210	0.000	1	120.5210	0.000	1	120.3570	0.593	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.2440	0.000	1	119.2440	0.000	1	120.3570	0.593	4	122.3715	5.184	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.6280	0.000	1	123.2620	3.732	2	123.2620	3.732	2	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.8960	0.000	1	123.2620	3.732	2	123.2620	3.732	2	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	125.1840	0.000	1	123.0915	8.757	2	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.9990	0.000	1	123.0915	8.757	2	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.9103	0.700	3	121.9103	0.490	3	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.2260	0.000	1	122.2260	0.000	1	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.2220	0.000	1	123.8550	3.737	2	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.4880	0.000	1	123.8550	3.737	2	122.7313	2.648	8	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	127.1340	0.000	1	127.1340	0.000	1	127.1340	0.000	1	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:N[6]-3:N[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2{1|C<4>,2|O<1>,8|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	130.9055	1.784	4	130.9055	3.184	4	130.9055	3.184	4	125.2753	15.854	15	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.4660	0.000	1	123.4660	0.000	1	122.5080	0.866	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.3620	0.000	1	122.3620	0.000	1	122.5080	0.866	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	122.1020	1.153	2	122.1020	1.328	2	122.5080	0.866	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	124.4665	0.548	2	124.4665	0.300	2	122.7752	5.629	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	119.4800	0.000	1	119.4800	0.000	1	122.7752	5.629	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	122.6880	0.000	1	122.6880	0.000	1	122.7752	5.629	4	122.6416	2.804	8	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.9490	0.000	1	120.9490	0.000	1	121.7723	0.702	3	121.7723	0.702	3	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	122.6240	0.000	1	122.6240	0.000	1	121.7723	0.702	3	121.7723	0.702	3	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.7723	0.702	3	121.7723	0.702	3	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[3]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	125.6030	4.712	2	125.6030	22.204	2	125.6030	22.204	2	125.6030	22.204	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN){4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	123.0330	0.000	1	123.0330	0.000	1	122.4715	0.631	2	122.4715	0.631	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	121.9100	0.000	1	121.9100	0.000	1	122.4715	0.631	2	122.4715	0.631	2	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	119.0607	1.341	4	119.0607	1.799	4	119.0017	3.018	6	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,5|C<3>}	118.8835	3.106	2	118.8835	9.649	2	119.0017	3.018	6	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,3|H<1>,5|C<3>}	120.5857	2.664	4	120.5857	7.097	4	119.9522	5.254	6	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]Br)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,5|C<3>}	118.6850	0.402	2	118.6850	0.161	2	119.9522	5.254	6	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	118.9497	0.632	4	118.9497	0.400	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.5417	1.941	4	118.5417	3.769	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H){1|O<1>,3|C<4>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.6065	2.132	4	118.6065	4.547	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.9020	3.984	2	118.5510	6.272	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.2000	1.566	2	118.5510	6.272	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)2{2|N<2>,4|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	118.2832	3.514	4	118.2832	12.349	4	118.5864	4.364	20	118.9204	4.288	32	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	119.9407	1.963	4	119.9407	3.851	4	119.3558	2.571	16	119.3558	2.571	16	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	119.0568	1.154	4	119.0568	1.333	4	119.3558	2.571	16	119.3558	2.571	16	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.9922	1.576	4	118.9922	2.483	4	119.3558	2.571	16	119.3558	2.571	16	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	119.6825	2.440	2	119.4333	4.427	4	119.3558	2.571	16	119.3558	2.571	16	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6a]C[6a]2)2{2|O<1>,4|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[3]C[3,6]2C[6a])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	119.1840	2.660	2	119.4333	4.427	4	119.3558	2.571	16	119.3558	2.571	16	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	121.0200	0.000	1	120.7130	0.188	2	120.7130	0.188	2	121.0523	0.578	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[5a,6]C[3,6]H)(C[3,6]C[3,6]2H)(C[6a]C[6a]2)(COO){2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.4060	0.000	1	120.7130	0.188	2	120.7130	0.188	2	121.0523	0.578	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-3:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(COO){4|C<3>,6|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	121.3915	1.042	2	121.3915	1.085	2	121.3915	1.085	2	121.0523	0.578	4	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:4:	3:4:4:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-4:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3){3|H<1>,5|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3,6]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-4:	C[3,6]-4:C[3]-4:N[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H)	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3){3|H<1>,5|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	121.4029	11.483	121	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2{4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:1:	4:3:3:1:	3:4:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:2:	4:2:4:1:	4:3:3:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	C[6a](C[3]N[6a]C[3]O[3])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.1570	0.000	1	122.1570	0.000	1	122.1570	0.000	1	122.1570	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:F-1:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(F)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(F)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>,4|H<1>}	117.6190	0.781	2	117.6190	0.609	2	117.6190	0.609	2	118.1091	0.775	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CC)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CC)(H)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	118.6085	0.334	2	118.6085	0.112	2	118.2725	0.836	6	118.1091	0.775	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(H)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,5|H<1>}	118.5655	0.863	2	118.5655	0.745	2	118.2725	0.836	6	118.1091	0.775	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]FF)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]FF)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]FF)(H)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>,4|H<1>}	117.6435	1.460	2	117.6435	2.132	2	118.2725	0.836	6	118.1091	0.775	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H){4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,5|H<1>}	118.2405	1.606	2	118.2405	2.579	2	118.2405	2.579	2	118.2405	2.579	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CC)(CCH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CC)(CCH)(H){4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	117.6915	0.446	2	117.6915	0.199	2	117.6915	0.199	2	117.6915	0.199	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(CC[6a]HH)(CCH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]CH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(CC[6a]HH)(CCH){4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	120.1910	0.788	2	120.1910	0.620	2	119.6287	0.967	4	119.6287	0.967	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CCHH)(CCH)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)2(C[3]C[3]CC)(C[3]C[3]HH){4|C<3>,4|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CCHH)(CCH){4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	119.0665	1.008	2	119.0665	1.015	2	119.6287	0.967	4	119.6287	0.967	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:1:1:	3:4:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[5,6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2{2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	3:4:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	121.7943	4.321	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	3:4:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	120.6350	0.759	2	120.6350	0.577	2	120.6350	0.577	2	121.7943	4.321	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.4980	0.000	1	122.4980	0.000	1	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	121.0290	0.000	1	121.0290	0.000	1	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	122.1015	0.354	2	122.1908	0.376	4	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	122.2800	0.986	2	122.1908	0.376	4	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>}	121.4340	0.000	1	122.0918	1.248	5	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.4965	1.216	2	122.0918	1.248	5	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	123.0160	0.815	2	122.0918	1.248	5	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.1730	0.000	1	124.1730	0.000	1	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.5600	0.000	1	124.5600	0.000	1	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	124.2960	0.000	1	124.2203	2.069	6	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	124.6305	0.275	2	124.2203	2.069	6	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	123.9217	2.198	3	124.2203	2.069	6	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.9810	0.000	1	122.9810	0.000	1	122.9892	2.110	20	122.9892	2.110	20	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:2:	3:4:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:2:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	124.3430	4.552	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:2:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:S-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3])	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3]){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	125.5735	0.135	2	125.5735	0.018	2	125.5735	0.018	2	124.3430	4.552	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:3:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2{2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.9120	0.013	2	121.9120	0.000	2	121.9120	0.000	2	123.4140	6.768	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:3:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	123.4140	6.768	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:3:4:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	3:4:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6330	0.585	2	122.6330	0.343	2	122.6330	0.343	2	122.6330	0.343	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.3880	0.000	1	120.3880	0.000	1	122.7661	2.012	8	122.7661	2.012	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	123.0165	0.443	2	123.0165	0.197	2	122.7661	2.012	8	122.7661	2.012	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	123.5897	0.594	3	123.5897	0.352	3	122.7661	2.012	8	122.7661	2.012	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	120.8580	0.000	1	120.8580	0.000	1	122.7661	2.012	8	122.7661	2.012	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	124.0810	0.000	1	124.0810	0.000	1	122.7661	2.012	8	122.7661	2.012	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:2:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:3:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	122.4220	0.246	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:2:4:3:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:S-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	122.6890	0.255	2	122.6890	0.065	2	122.6890	0.065	2	122.4220	0.246	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:3:	4:2:3:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.1630	0.908	2	122.1630	0.824	2	122.1630	0.824	2	122.1630	0.824	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:3:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:3:	4:3:2:3:	4:3:2:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	118.2237	1.397	3	118.2237	1.953	3	118.5780	1.097	8	118.5780	1.097	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	118.1240	0.000	1	118.1240	0.000	1	118.5780	1.097	8	118.5780	1.097	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	119.6980	0.399	2	119.6980	0.159	2	118.5780	1.097	8	118.5780	1.097	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:4:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	118.2165	0.510	2	118.2165	0.260	2	118.5780	1.097	8	118.5780	1.097	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:2:4:	4:2:4:4:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:3:	Nb[11x3]-3:C[3]-4:C[6a]-3:H-1:	Nb[11x3]-3:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H)	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H){10|H<1>,2|Si<4>,4|C<3>}	C[3](Nb[11x3]C[3,3,5]10C[3]H)(C[3]Nb[11x3]C[6a]H)(C[6a]C[6a]2)(H){10|H<1>,2|Si<4>,4|C<3>}	C[6a](C[3]Nb[11x3]C[3]H)(C[6a]C[6a]H)2{10|C<4>,2|C<3>,4|H<1>}	123.5065	1.224	2	123.5065	1.498	2	123.5065	1.498	2	123.5065	1.498	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[3]-4:C[3]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,4|H<1>}	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:Cl-1:H-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|Cl<1>,1|S<3>,3|C<3>,3|H<1>}	124.7750	0.000	1	124.7750	0.000	1	124.7750	0.000	1	124.1055	0.896	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	124.1055	0.896	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2{2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	120.4760	0.000	1	120.4760	0.000	1	123.5906	1.677	12	123.5906	1.677	12	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	123.8737	0.887	11	123.8737	0.786	11	123.5906	1.677	12	123.5906	1.677	12	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-3:H-1:	C[3]-4:C[3]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,3|H<1>}	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	122.7670	0.000	1	122.7670	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.6530	0.000	1	119.6530	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	122.6030	0.000	1	122.6030	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	123.8740	0.000	1	123.8740	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	123.7510	0.000	1	123.7510	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	124.2530	0.000	1	124.2530	0.000	1	122.8168	2.822	6	122.8168	2.822	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2{2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.8847	0.434	4	119.8847	0.188	4	119.8847	0.188	4	119.8847	0.188	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:3:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	126.4590	0.000	1	126.4590	0.000	1	123.9420	1.730	6	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	123.5845	0.363	2	123.5845	0.132	2	123.9420	1.730	6	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	124.0780	0.000	1	124.0780	0.000	1	123.9420	1.730	6	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	123.0990	0.000	1	123.0990	0.000	1	123.9420	1.730	6	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	122.8470	0.000	1	122.8470	0.000	1	123.9420	1.730	6	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,3|H<1>}	128.6030	0.000	1	128.6030	0.000	1	128.6030	0.000	1	124.6079	4.545	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:1:	4:3:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2{2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-3:C-3:	C[3]-4:C[3]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]C)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,4|H<1>}	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,4|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	119.8295	1.834	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H){2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	119.8295	1.834	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:4:	4:3:1:1:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	119.0900	0.000	1	119.0900	0.000	1	118.0730	2.069	2	118.0730	2.069	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	117.0560	0.000	1	117.0560	0.000	1	118.0730	2.069	2	118.0730	2.069	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	2:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	120.7502	1.400	4	120.7502	1.960	4	120.6648	1.240	6	121.4151	4.365	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	2:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	120.4940	0.482	2	120.4940	0.233	2	120.6648	1.240	6	121.4151	4.365	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	2:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	S[6a]-2:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]S[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|S<2>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	122.5405	2.866	4	122.5405	8.213	4	122.5405	8.213	4	121.4151	4.365	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	2:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[6a]-2:C[3]-4:N[6a]-2:	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|N<2>}	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	119.3950	0.443	2	119.3950	0.196	2	119.3950	0.196	2	119.3950	0.196	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	120.5250	0.361	2	120.5250	0.130	2	120.5250	0.130	2	120.5250	0.130	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:F-1:	C[3]-4:C[3]-4:F-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F)	C[3](C[3]C[6a]C[3]F)(C[3]C[3]FI)(F)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F)	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]F)(C[3]C[3]FI)(F)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F){1|C<3>,1|I<1>,2|F<1>,3|H<1>}	123.4190	0.000	1	123.4190	0.000	1	123.4190	0.000	1	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:F-1:	C[3]-4:C[3]-4:F-1:I-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F)	C[3](C[3]C[6a]C[3]F)(C[3]C[3]FH)(F)(I)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F)	C[3](C[6a]C[6a]2)(C[3]C[3]FH)(C[3]C[3]FI)(F){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]F)(C[3]C[3]FH)(F)(I){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2F){1|C<3>,1|I<1>,2|F<1>,3|H<1>}	123.5860	0.000	1	123.5860	0.000	1	123.5860	0.000	1	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:F-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(F)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(F)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	122.4480	2.073	3	122.4480	4.297	3	122.4480	4.297	3	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)2(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(H)2{4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(C[3]C[3]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H)	C[3](C[6a]C[6,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	121.2795	0.388	2	121.2795	0.151	2	121.2795	0.151	2	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2H){5|C<3>,6|H<1>}	120.5920	1.889	2	120.5920	3.570	2	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	121.4544	2.156	8	121.4544	4.647	8	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){1|C<4>,5|C<3>,5|H<1>}	121.9140	1.865	2	121.2895	1.954	4	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[3]C[3]2H){5|C<3>,6|H<1>}	120.6650	0.907	2	121.2895	1.954	4	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|O<2>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(C[3]C[3]2H){5|C<3>,5|H<1>}	120.7315	1.533	4	120.7315	2.350	4	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(C[3]C[3]2H){1|C<4>,3|C<3>,5|H<1>}	120.8890	0.437	2	120.8890	0.191	2	121.1341	2.709	20	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	119.6340	0.000	1	119.6340	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	122.3220	0.000	1	122.3220	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|F<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H){1|C<2>,2|C<3>,2|F<1>,2|H<1>}	122.9250	0.000	1	122.9250	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	121.9160	2.226	2	122.4399	1.542	7	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	122.3500	0.000	1	122.4399	1.542	7	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	122.2340	1.339	2	122.4399	1.542	7	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	123.7890	0.000	1	122.4399	1.542	7	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	122.6400	0.000	1	122.4399	1.542	7	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	124.6283	0.846	3	123.1916	1.534	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	123.0166	0.836	5	123.1916	1.534	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	123.4980	0.000	1	123.1916	1.534	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.8515	1.312	11	123.1916	1.534	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.7223	1.478	4	122.7223	2.186	4	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	116.5260	0.000	1	116.5260	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	123.3580	0.663	2	123.3580	0.440	2	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	122.0410	1.027	7	122.8619	1.996	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	123.7360	0.000	1	122.8619	1.996	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	123.2678	1.482	12	122.8619	1.996	20	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	123.4036	0.507	5	123.4036	0.257	5	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CP)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CP)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|P<4>,2|C<3>,4|H<1>}	123.7360	0.000	1	123.7360	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]3)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H){3|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]3)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	122.3700	0.000	1	122.3700	0.000	1	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	120.7957	0.246	3	120.7957	0.060	3	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|S<4>,5|H<1>}	124.2030	0.557	2	124.2030	0.310	2	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<2>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	120.9690	1.166	4	120.9690	1.360	4	122.6706	2.420	73	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	121.4758	0.450	4	121.4758	0.202	4	121.5852	0.634	6	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	C[3](C[6a]N[5a,6a]C[6a])(C[3]C[3]HH)2(H){1|I<1>,1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	121.8040	1.556	2	121.8040	2.420	2	121.5852	0.634	6	122.3110	2.677	107	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)2{1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.7180	0.000	1	119.7180	0.000	1	119.3995	0.203	2	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	119.0810	0.000	1	119.0810	0.000	1	119.3995	0.203	2	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	119.2845	1.729	2	119.2845	2.989	2	119.3957	1.064	4	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	119.5070	0.390	2	119.5070	0.152	2	119.3957	1.064	4	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O[6a]-2:	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a])	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|O<2>}	C[6a](C[6a]C[6a,6a]C[6a])(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	121.2789	1.128	8	121.2789	1.272	8	121.0512	1.299	10	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O[6a]-2:	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a])	C[3](C[6a]C[6a]O[6a])(C[3]C[3]HH)2(H){3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,4|H<1>}	120.1405	0.846	2	120.1405	0.716	2	121.0512	1.299	10	120.4309	1.690	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:1:1:	4:2:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[6a]-2:N[6a]-2:	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	C[3](C[6a]N[6a]2)(C[3]C[3]HH)2(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)2{2|N<2>}	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	120.0798	1.053	4	120.0798	1.108	4	120.0798	1.108	4	120.0798	1.108	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	124.1180	1.731	2	124.1180	2.996	2	124.1180	2.996	2	123.6283	2.217	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	123.6283	2.217	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	118.1800	0.000	1	118.1800	0.000	1	120.3527	3.518	7	120.3527	3.518	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	121.3016	1.148	5	121.3016	1.318	5	120.3527	3.518	7	120.3527	3.518	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|H<1>,2|C<2>,3|C<3>}	117.7810	0.000	1	117.7810	0.000	1	120.3527	3.518	7	120.3527	3.518	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[5a]O)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	121.1907	0.600	4	121.1907	0.360	4	121.3362	0.375	5	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	121.9180	0.000	1	121.9180	0.000	1	121.3362	0.375	5	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	123.3270	0.000	1	123.3270	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	123.0030	0.000	1	123.0030	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[3]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,2|C<4>,3|H<1>}	121.3560	1.063	4	121.3560	1.130	4	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	125.1240	0.000	1	124.8816	0.668	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	125.0780	0.950	3	124.8816	0.668	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	124.0500	0.000	1	124.8816	0.668	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CNO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	122.5060	2.478	2	122.5060	6.139	2	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	121.5910	0.000	1	121.5910	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	124.4490	0.000	1	124.4490	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	118.2145	0.523	2	118.2145	0.273	2	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	118.5830	0.228	2	118.5830	0.052	2	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	122.5610	0.000	1	122.5610	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	121.8610	2.781	3	121.8610	7.737	3	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	118.1880	0.769	2	118.1880	0.592	2	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	120.3650	2.063	4	120.3650	4.257	4	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	120.3620	0.000	1	120.3620	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	123.0410	0.123	2	122.3236	1.076	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	121.8453	1.134	3	122.3236	1.076	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	123.2030	1.609	3	123.2030	2.588	3	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	119.9830	0.000	1	119.9830	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,4|H<1>}	120.9220	0.000	1	120.9220	0.000	1	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.1100	0.481	3	122.1100	0.232	3	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.7142	1.268	4	121.2012	2.522	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	119.1490	0.000	1	121.2012	2.522	5	121.6951	4.540	49	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,3|H<1>,5|C<3>}	122.5550	0.000	2	122.5550	0.000	2	122.5550	0.000	2	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	121.6902	3.957	57	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[3](C[6a]C[5a,6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|N<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.4200	0.000	1	120.4200	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	121.7690	0.000	1	121.7690	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	121.3150	0.000	1	121.3150	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN){2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	119.5500	0.000	1	119.5500	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN)	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|F<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN){2|C<3>}	C[6a](C[6a]C[6a]F)2(C[3]C[3]2H){1|C<2>,2|C<3>,2|F<1>,2|H<1>}	118.6660	0.000	1	118.6660	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|S<4>,2|C<3>,3|H<1>}	124.5760	0.000	1	124.5760	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	121.9320	0.000	1	121.9320	0.000	1	121.2404	3.179	8	121.2404	3.179	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|H<1>,6|C<3>}	122.6355	1.373	4	122.6355	1.884	4	123.1400	1.741	6	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,3|H<1>,5|C<3>}	124.1490	0.000	2	124.1490	0.000	2	123.1400	1.741	6	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	122.1860	0.000	1	122.1860	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	122.9400	0.000	1	122.2613	3.131	3	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	121.9220	2.360	2	122.2613	3.131	3	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	121.9890	0.000	1	121.9890	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	121.6520	0.829	2	121.6520	0.687	2	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|O<2>,3|C<3>,3|H<1>}	121.1500	0.000	1	121.1500	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CHN)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	121.7610	0.000	1	121.7610	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	121.4547	1.402	8	121.4547	1.965	8	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	121.0650	0.195	2	119.5577	2.624	6	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Br<1>,3|C<3>,3|H<1>}	116.7850	0.000	1	119.5577	2.624	6	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	119.8165	0.374	2	119.5577	2.624	6	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){3|C<3>,4|H<1>}	118.7980	0.000	1	119.5577	2.624	6	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	121.4270	0.000	1	121.4270	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	122.4090	0.000	1	122.4090	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	127.9130	0.000	1	127.9130	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|H<1>,2|C<2>,3|C<3>}	125.7320	0.000	1	125.7320	0.000	1	121.6163	4.564	27	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	121.5880	0.000	2	121.5880	0.000	2	121.7416	0.270	5	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	122.1380	0.694	2	122.1380	0.482	2	121.7416	0.270	5	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	121.2560	0.000	1	121.2560	0.000	1	121.7416	0.270	5	121.8733	3.782	38	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:3:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CCHH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCHH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.3420	0.000	1	120.3420	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6]HH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	124.0300	0.000	1	124.0300	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CC[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CC[6]HO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	120.4670	0.000	1	120.4670	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]FH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CHHO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	121.6095	1.032	2	121.6095	1.064	2	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	120.3755	0.880	2	120.3755	0.775	2	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	121.9360	0.000	1	121.9360	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	120.1340	1.639	3	120.1340	2.685	3	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.8770	0.540	4	121.8770	0.292	4	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	119.9730	0.000	1	119.9730	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CF3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	120.5310	0.000	1	120.5310	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HO)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HO)(CCHO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.4860	0.000	1	123.4860	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.6760	1.091	3	122.6760	1.191	3	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHN)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	123.5870	0.000	1	123.5870	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.8670	0.000	1	122.8670	0.000	1	121.6142	2.067	23	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	121.4630	0.320	2	121.4630	0.102	2	120.9037	0.990	3	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|P<4>,5|H<1>}	119.7850	0.000	1	119.7850	0.000	1	120.9037	0.990	3	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:S-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,1|S<4>,2|C<3>,3|H<1>}	122.3200	0.000	1	122.3200	0.000	1	121.3157	0.808	3	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:S-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|S<4>,5|H<1>}	120.8135	0.320	2	120.8135	0.103	2	121.3157	0.808	3	121.5098	1.805	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	121.9120	0.000	1	121.9120	0.000	1	122.0960	1.298	6	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	123.3570	0.000	1	123.3570	0.000	1	122.0960	1.298	6	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(CNO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.8390	0.441	2	122.8390	0.195	2	122.0960	1.298	6	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.1920	0.000	1	121.1920	0.000	1	122.0960	1.298	6	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5a]HH)(CN[5,6]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5a]HH)(CN[5,6]O){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.4370	0.000	1	120.4370	0.000	1	122.0960	1.298	6	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:P-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|P<4>,2|C<3>,4|H<1>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	121.7767	1.796	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2{2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(C[3]C[3]2H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	124.6850	0.000	1	124.6850	0.000	1	123.1850	0.853	5	122.9127	1.127	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,2|C<4>,3|H<1>}	122.8100	0.447	4	122.8100	0.200	4	123.1850	0.853	5	122.9127	1.127	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[3]-4:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]2H)(C[3]C[3]HH)(C[3]C[3]3)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]3)(H){3|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]2H)(C[3]C[3]HH)(C[3]C[3]3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	122.9127	1.127	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:2:1:1:	4:3:3:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:3:4:1:	2:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:4:1:1:	2:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	N[6a]-2:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:4:3:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:O-2:	C[3]-4:C[3]-4:N-3:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:2:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2{2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[3]C[3]2C){2|H<1>,3|C<3>,4|C<4>}	123.4610	2.134	2	123.4610	4.554	2	123.4610	4.554	2	123.4610	4.554	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	120.6187	0.541	6	120.6187	0.292	6	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|C<4>,4|H<1>}	119.0590	0.000	1	119.6570	0.361	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.9560	0.431	2	119.6570	0.361	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	116.9920	0.000	1	116.9920	0.000	1	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	118.4260	1.413	2	118.4260	1.996	2	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	118.5380	0.000	1	118.5380	0.000	1	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	119.4490	0.000	1	119.4490	0.000	1	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HI)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HI)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|I<1>,5|H<1>}	118.5657	0.808	3	118.5657	0.654	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	120.8990	0.000	1	120.4887	2.447	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	121.8070	0.000	1	120.4887	2.447	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Cl<1>,1|C<3>,1|N<3>,4|H<1>}	118.7600	0.000	1	120.4887	2.447	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	118.9113	1.253	3	118.9113	1.571	3	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	121.6730	0.417	2	121.6730	0.174	2	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	118.5820	0.000	1	118.5820	0.000	1	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	118.3820	0.000	1	118.3820	0.000	1	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCH){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	117.4600	1.096	2	117.4600	1.201	2	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	118.2705	0.383	2	118.3955	0.273	4	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CCO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|O<2>,4|H<1>}	118.5205	0.781	2	118.3955	0.273	4	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	118.0855	3.471	2	118.0855	12.049	2	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,6|H<1>}	118.4780	0.400	2	118.4780	0.160	2	119.1986	2.197	37	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:I-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)(I)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HI)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)(I){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|I<1>,5|H<1>}	120.3347	0.245	3	120.3347	0.060	3	120.3347	0.060	3	119.2839	2.123	40	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:1:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO){1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	120.7600	0.000	1	120.7600	0.000	1	120.7600	0.000	1	120.7600	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	120.2583	0.231	3	120.2583	0.054	3	120.1214	0.410	7	120.1214	0.410	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	119.6155	0.739	2	119.6155	0.546	2	120.1214	0.410	7	120.1214	0.410	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC[6a])(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	119.6940	0.000	1	119.6940	0.000	1	120.1214	0.410	7	120.1214	0.410	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CN[6]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC[6a])(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	121.1500	0.000	1	121.1500	0.000	1	120.1214	0.410	7	120.1214	0.410	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	118.1670	0.000	1	118.1670	0.000	1	120.1785	8.092	2	119.7504	4.385	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	122.1900	0.000	1	122.1900	0.000	1	120.1785	8.092	2	119.7504	4.385	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	121.2430	0.000	1	119.4650	4.419	3	119.4650	4.419	3	119.7504	4.385	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,5|H<1>}	120.0070	0.000	1	119.4650	4.419	3	119.4650	4.419	3	119.7504	4.385	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Cl<1>,1|C<3>,1|N<3>,4|H<1>}	117.1450	0.000	1	119.4650	4.419	3	119.4650	4.419	3	119.7504	4.385	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:3:1:	3:4:2:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[3]CH)(C[3]C[3]HH)(COO){1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCH)(H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	119.5460	0.000	1	119.5460	0.000	1	120.6340	0.453	5	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	121.0475	0.327	2	121.0475	0.107	2	120.6340	0.453	5	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	121.0350	0.000	1	121.0350	0.000	1	120.6340	0.453	5	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.6340	0.453	5	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){1|C<3>,2|C<4>,4|H<1>}	119.1380	0.000	1	119.1380	0.000	1	119.0550	0.014	2	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){1|C<3>,2|C<4>,4|H<1>}	118.9720	0.000	1	118.9720	0.000	1	119.0550	0.014	2	120.1829	0.898	7	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(COO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.0498	0.102	6	119.0498	0.010	6	119.2398	0.135	8	119.2398	0.135	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(CHO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(CHO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.9260	0.000	1	119.9260	0.000	1	119.2398	0.135	8	119.2398	0.135	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HO)(CCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HO)(CCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.6930	0.000	1	119.6930	0.000	1	119.2398	0.135	8	119.2398	0.135	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:3:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCCH)(CHHO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCCH)(CHHO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,2|C<4>,4|H<1>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	119.4310	0.000	1	119.4310	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<2>,1|C<3>,5|H<1>}	118.7540	0.000	1	119.6498	1.005	13	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	118.2730	0.000	1	119.6498	1.005	13	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	119.8565	0.943	11	119.6498	1.005	13	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CN)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CN)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	120.7575	2.126	2	120.7575	4.521	2	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|P<4>,3|C<3>,3|H<1>}	118.3210	0.000	1	118.3210	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|P<4>,2|C<3>,4|H<1>}	116.7080	0.000	1	116.7080	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	117.1380	0.000	1	117.1380	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	119.6080	0.000	1	119.6080	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	119.1200	0.000	1	119.1200	0.000	1	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	119.9093	2.345	4	119.9093	5.499	4	119.4770	2.171	25	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B)	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	118.7200	1.249	2	118.7200	1.559	2	118.6265	0.651	4	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N)	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2P){1|C<3>,6|H<1>}	118.5330	0.598	2	118.5330	0.358	2	118.6265	0.651	4	119.3597	2.020	29	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<2>,1|C<3>,5|H<1>}	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	118.5344	5.103	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|O<2>,2|C<3>,4|H<1>}	120.9205	0.968	2	120.9205	0.937	2	118.9068	5.879	4	118.5344	5.103	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	116.4030	0.000	1	116.4030	0.000	1	118.9068	5.879	4	118.5344	5.103	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(OC)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	117.3830	0.000	1	117.3830	0.000	1	118.9068	5.879	4	118.5344	5.103	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:2:2:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-2:C-2:	C[5a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C)	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2{2|C<3>}	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C){2|C<4>,3|C<2>,3|C<3>}	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCN)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	118.6610	0.000	1	118.6610	0.000	1	116.0506	5.384	14	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	115.4120	0.000	1	115.4120	0.000	1	116.0506	5.384	14	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	114.9907	1.443	9	114.9907	2.083	9	116.0506	5.384	14	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CNO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	115.2260	0.000	1	115.2260	0.000	1	116.0506	5.384	14	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HO)(CNO)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|O<2>,2|C<3>,4|H<1>}	120.2465	0.317	2	120.2465	0.101	2	116.0506	5.384	14	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	116.0463	5.000	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:3:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	117.7955	0.220	2	117.7955	0.048	2	117.7955	0.048	2	117.7955	0.048	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:P-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|P<4>,3|C<3>,3|H<1>}	116.7700	0.000	1	116.7700	0.000	1	116.9795	0.088	2	118.4233	4.453	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:P-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|P<4>,2|C<3>,4|H<1>}	117.1890	0.000	1	117.1890	0.000	1	116.9795	0.088	2	118.4233	4.453	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:4:3:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:P-4:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	119.1453	2.304	4	119.1453	5.308	4	119.1453	5.308	4	118.4233	4.453	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	3:4:4:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C[3]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C)	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2{2|C<3>}	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C){2|C<4>,3|C<2>,3|C<3>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:2:3:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	123.8605	0.521	2	123.8605	0.272	2	123.7523	0.171	3	123.7523	0.171	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:2:3:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl){2|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	123.5360	0.000	1	123.5360	0.000	1	123.7523	0.171	3	123.7523	0.171	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	123.5600	0.718	2	123.1870	0.358	4	123.1870	0.358	4	123.1870	0.358	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.8140	0.031	2	123.1870	0.358	4	123.1870	0.358	4	123.1870	0.358	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:3:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.1320	0.000	1	122.1320	0.000	1	123.0305	1.615	2	122.3257	5.044	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:3:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.9290	0.000	1	123.9290	0.000	1	123.0305	1.615	2	122.3257	5.044	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:3:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	122.3257	5.044	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:3:	4:3:3:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	122.3257	5.044	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:4:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	123.7150	0.000	1	123.7150	0.000	1	122.7960	1.689	2	122.7960	1.689	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:3:2:4:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.8770	0.000	1	121.8770	0.000	1	122.7960	1.689	2	122.7960	1.689	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H){3|C<4>,4|C<3>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|H<1>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:3:	3:4:2:3:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.1580	0.000	1	121.1580	0.000	1	121.1370	0.001	2	122.1827	15.945	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.1160	0.000	1	121.1160	0.000	1	121.1370	0.001	2	122.1827	15.945	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]N)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	127.8900	0.000	1	127.8900	0.000	1	127.8900	0.000	1	122.1827	15.945	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:S[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]S[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	122.1827	15.945	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:4:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	118.5850	0.000	1	118.5850	0.000	1	119.4535	1.509	2	119.4535	1.509	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:4:	4:3:2:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	120.3220	0.000	1	120.3220	0.000	1	119.4535	1.509	2	119.4535	1.509	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:4:	4:3:2:4:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	120.5210	0.000	1	120.5210	0.000	1	121.7600	3.288	4	121.7600	3.288	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:4:	4:3:2:4:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	123.5930	0.000	1	123.5930	0.000	1	121.7600	3.288	4	121.7600	3.288	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:2:4:	4:3:2:4:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	121.4630	2.189	2	121.4630	4.793	2	121.7600	3.288	4	121.7600	3.288	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	122.0990	0.383	2	122.0990	0.147	2	123.5895	2.127	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	125.0610	1.266	2	125.0610	1.602	2	123.5895	2.127	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	123.6085	0.336	2	123.6085	0.113	2	123.5895	2.127	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|S<3>,2|C<3>,2|H<1>}	126.4453	0.631	3	126.4453	0.398	3	126.4453	0.398	3	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.7020	0.000	1	121.7020	0.000	1	122.2287	2.485	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	120.8460	0.437	2	120.8460	0.191	2	122.2287	2.485	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	122.1210	0.000	1	123.3260	2.261	3	122.2287	2.485	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	123.9285	1.531	2	123.3260	2.261	3	122.2287	2.485	6	123.6163	4.245	15	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.8240	0.000	1	123.8240	0.000	1	123.8240	0.000	1	123.8645	0.003	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	123.8645	0.003	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	128.1605	6.029	2	128.1605	36.355	2	128.1605	36.355	2	127.2043	15.777	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.3350	0.000	1	124.3350	0.000	1	124.3350	0.000	1	127.2043	15.777	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	128.1610	0.000	1	128.1610	0.000	1	128.1610	0.000	1	127.2043	15.777	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	126.0440	0.000	1	126.0440	0.000	1	126.0440	0.000	1	126.0440	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[6a](C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.8597	0.742	3	122.8597	0.550	3	122.8597	0.550	3	122.8597	0.550	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:3:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	119.2145	0.265	2	119.2145	0.070	2	119.2145	0.070	2	120.3780	4.096	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:3:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	122.7050	0.000	1	122.7050	0.000	1	122.7050	0.000	1	120.3780	4.096	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	114.0760	2.800	2	114.0760	7.841	2	114.0760	7.841	2	114.3520	4.149	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	114.3520	4.149	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	120.1500	0.000	1	120.1500	0.000	1	120.1500	0.000	1	118.4826	7.452	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH){4|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	117.4095	3.591	2	117.4095	12.898	2	118.0658	8.778	4	118.4826	7.452	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	118.7220	3.422	2	118.7220	11.713	2	118.0658	8.778	4	118.4826	7.452	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2{6|C<3>}	C[6a](C[3]C[5a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	118.9860	0.375	2	118.9860	0.140	2	118.9488	0.185	4	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(Cl)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|Cl<1>,3|C<3>,4|H<1>}	118.9115	0.640	2	118.9115	0.410	2	118.9488	0.185	4	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	118.0323	1.527	6	118.0323	2.333	6	118.1940	3.018	12	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	120.1820	0.820	2	120.1820	0.673	2	118.1940	3.018	12	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)2(C[3]C[3]HH){1|Cl<1>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]Cl2)(H)2{4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|Cl<1>,3|C<3>,4|H<1>}	118.4530	1.185	2	118.4530	1.404	2	118.1940	3.018	12	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(H)2	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(H)2{6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{4|C<3>,5|H<1>}	116.4320	2.247	2	116.4320	5.050	2	118.1940	3.018	12	118.4062	2.226	17	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]N[6]H)(CCH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]N[6]H)(CCH)(H){2|C<4>,4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.8480	0.354	2	118.8550	15.645	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]N[6]H)(CCH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]N[6]H)(CCH)(H){2|C<4>,4|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	119.2690	0.000	1	119.2690	0.000	1	118.8480	0.354	2	118.8550	15.645	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:N[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	123.6880	0.000	1	123.6880	0.000	1	118.8620	46.581	2	118.8550	15.645	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:N[6]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)2(C[3]C[3]CH){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(N[6]C[6]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	114.0360	0.000	1	114.0360	0.000	1	118.8620	46.581	2	118.8550	15.645	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH){4|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H){6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	118.5580	1.397	2	118.5580	1.952	2	118.5580	1.952	2	118.6785	0.879	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	118.8490	1.430	2	118.7187	0.832	6	118.7187	0.832	6	118.6785	0.879	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)2(C[3]C[3]HH){1|C<4>,5|C<3>,5|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	118.6535	0.830	4	118.7187	0.832	6	118.7187	0.832	6	118.6785	0.879	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	121.4485	8.836	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	119.0485	1.650	2	119.0485	2.721	2	119.0485	2.721	2	121.4485	8.836	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	121.4485	8.836	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.8040	0.000	1	123.8040	0.000	1	121.3955	11.602	2	121.3955	11.602	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	3:4:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.9870	0.000	1	118.9870	0.000	1	121.3955	11.602	2	121.3955	11.602	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:3:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.2210	0.000	1	122.2210	0.000	1	122.2210	0.000	1	125.4557	9.638	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:3:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]CH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	128.4110	0.000	1	128.4110	0.000	1	127.0730	3.580	2	125.4557	9.638	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:3:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)2(C[3]C[3]HH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	125.7350	0.000	1	125.7350	0.000	1	127.0730	3.580	2	125.4557	9.638	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	123.1146	1.989	8	123.1146	3.958	8	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	122.4265	0.777	2	122.4265	0.604	2	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<4>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.7223	1.070	3	121.7223	1.144	3	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.3850	0.740	3	122.8399	2.168	17	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.0895	0.777	2	122.8399	2.168	17	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	125.4880	0.000	1	122.8399	2.168	17	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.8596	1.557	11	122.8399	2.168	17	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	122.2900	1.645	2	122.2900	2.705	2	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	119.9950	0.000	1	119.9950	0.000	1	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	119.9590	0.000	1	120.9523	0.953	3	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	120.9870	0.000	1	120.9523	0.953	3	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	121.9110	0.000	1	120.9523	0.953	3	122.5180	2.579	36	122.5180	2.579	36	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	123.5810	0.000	1	123.5810	0.000	1	121.5335	8.385	2	121.5335	8.385	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	119.4860	0.000	1	119.4860	0.000	1	121.5335	8.385	2	121.5335	8.385	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	124.0790	0.000	1	122.5157	3.391	3	123.1069	6.494	14	123.1069	6.494	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	121.7340	1.765	2	122.5157	3.391	3	123.1069	6.494	14	123.1069	6.494	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.7529	2.796	9	122.7529	7.819	9	123.1069	6.494	14	123.1069	6.494	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	125.5870	0.782	2	125.5870	0.612	2	123.1069	6.494	14	123.1069	6.494	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	126.4390	0.000	1	126.4390	0.000	1	124.5720	6.971	2	124.5720	6.971	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.7050	0.000	1	122.7050	0.000	1	124.5720	6.971	2	124.5720	6.971	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(Br)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(Br)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	124.0020	0.000	1	124.0020	0.000	1	122.9999	2.918	10	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2{2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,1|C<4>,3|H<1>}	121.5273	1.521	4	121.5273	2.314	4	122.9999	2.918	10	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2{2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	124.3233	0.908	4	123.9776	1.215	5	122.9999	2.918	10	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Br)2{2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	122.5950	0.000	1	123.9776	1.215	5	122.9999	2.918	10	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(Cl)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|C<3>,5|H<1>}	119.1970	0.000	1	119.1970	0.000	1	119.1970	0.000	1	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:F-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(F)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(F)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(H)2{2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	121.7990	0.000	1	121.7990	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(H)2{2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2{2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,1|C<4>,3|H<1>}	122.1065	1.275	4	122.1065	1.626	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2{2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	123.7812	0.769	4	123.6204	0.572	5	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(H)2{2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(C[3]C[3]2H){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	122.9770	0.000	1	123.6204	0.572	5	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	123.7660	0.113	2	122.0293	4.516	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	119.4350	0.000	1	122.0293	4.516	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	121.1500	0.000	1	122.0293	4.516	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]ClH)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,1|C<3>,5|H<1>}	121.8770	0.000	1	121.8770	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[6]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[6]H)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|N<3>,5|H<1>}	122.5370	0.000	1	122.5370	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[6a]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.7920	0.000	1	122.7920	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	123.2750	0.000	1	123.2750	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|C<3>,4|H<1>}	124.8060	0.000	1	123.7638	1.641	13	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	124.5260	0.000	1	123.7638	1.641	13	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.2485	0.241	2	123.7638	1.641	13	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	123.9000	1.285	9	123.7638	1.641	13	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[3]C[3]2H){2|C<3>,5|H<1>}	121.8920	0.000	1	121.8920	0.000	1	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)2(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	119.2710	0.000	1	121.1902	3.474	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)2(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<3>,5|H<1>}	121.8300	1.660	3	121.1902	3.474	4	122.8450	2.329	37	122.7635	2.644	49	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]CuH)(H)2	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[3]CuH)(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]CuH)(H)2{2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cu<4>,1|C<3>,5|H<1>}	122.3777	0.720	4	122.3777	0.518	4	122.3777	0.518	4	122.4936	0.455	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:P[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H)	C[3](C[3]C[6a]P[3]H)(P[3]C[3]FeC)(H)2	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2	C[3](P[3]C[3]FeC)(C[6a]C[6a]2)(C[3]P[3]HH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]P[3]H)(P[3]C[3]FeC)(H)2{2|C<3>}	C[6a](C[3]C[3]P[3]H)(C[6a]C[6a]H)2{1|Fe<8>,1|C<3>,1|C<4>,4|H<1>}	122.9570	0.000	1	122.9570	0.000	1	122.9570	0.000	1	122.4936	0.455	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:2:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H)	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6,6]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HO)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6,6]C[3]C)(C[3]C[6a]C[3]H)(OC)(H){1|Ge<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	126.1035	1.298	2	126.1035	1.684	2	126.1035	1.684	2	126.1035	1.684	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:2:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)2(CN)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CN)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|C<2>,2|C<3>,3|H<1>}	118.6905	0.187	2	118.6905	0.035	2	118.6905	0.035	2	118.6905	0.035	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[5]H)(CHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]N[5]H)(CHO)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	121.4710	0.000	1	121.4710	0.000	1	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CC[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,4|H<1>}	123.0660	0.000	1	123.0660	0.000	1	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|H<1>,4|C<3>}	123.1040	2.137	2	123.1040	4.566	2	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CCH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	123.4005	4.086	2	123.4005	16.698	2	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CC[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.3505	0.733	2	122.3505	0.538	2	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CNO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	120.0470	0.000	1	122.4760	8.756	8	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CNO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){3|C<3>,4|H<1>}	122.8230	3.015	7	122.4760	8.756	8	122.6284	5.774	16	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	121.7210	0.863	2	121.7210	0.744	2	121.7210	0.744	2	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[5]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]N[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|N<3>,5|H<1>}	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	122.2809	4.830	21	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<2>,2|H<1>,4|C<3>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.3205	3.533	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	125.8480	0.000	1	125.8480	0.000	1	123.3667	5.287	3	123.3205	3.533	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	C[3](C[3]C[6a]C[3]H)2(CNO)(NCH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CNO)(NCH){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|N<3>,3|C<3>,3|H<1>}	122.1260	1.157	2	122.1260	1.338	2	123.3667	5.287	3	123.3205	3.533	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:3:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	120.0360	0.000	1	120.0360	0.000	1	120.0360	0.000	1	120.0360	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3,5]-4:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	123.4835	1.708	2	123.4835	2.916	2	122.3783	5.122	3	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3,5]-4:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	120.1680	0.000	1	120.1680	0.000	1	122.3783	5.122	3	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H){2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	121.5300	0.000	1	121.5300	0.000	1	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(CH3)(H){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	123.4340	0.387	2	123.4340	0.150	2	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H){1|C<4>,2|C<3>,2|S<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	123.7380	0.000	1	123.7380	0.000	1	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,6|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	125.7970	0.000	1	125.7970	0.000	1	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CHHO)(H)	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<4>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CHHO)(H){4|C<3>}	C[6a](C[6a]C[6a]C)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	124.0383	0.736	3	124.0383	0.541	3	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)2(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CHHO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.1854	1.390	5	121.1854	1.933	5	122.7573	2.991	14	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H)	C[3](C[3]C[6a]C[3]H)2(C[3]C[3,6]2H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]2H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(C[3]C[3,6]2H)(H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	121.7308	1.822	8	121.7308	3.320	8	121.7308	3.320	8	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,2|C<4>,4|H<1>}	123.2170	0.000	1	123.2170	0.000	1	120.7213	5.526	3	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	118.5490	0.000	1	118.5490	0.000	1	120.7213	5.526	3	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]2H)(H){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	120.3980	0.000	1	120.3980	0.000	1	120.7213	5.526	3	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SiC3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	124.7680	0.000	1	124.7680	0.000	1	123.7580	2.040	2	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SiC3)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,2|C<3>,4|H<1>}	122.7480	0.000	1	122.7480	0.000	1	123.7580	2.040	2	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[5]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H)	C[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]C[5]H)(C[6a]C[6a]2)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	125.1480	0.000	1	125.1480	0.000	1	125.1480	0.000	1	122.4004	3.684	31	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(CCHH)(CCO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	125.3750	0.000	1	125.3750	0.000	1	124.4105	1.861	2	124.4105	1.861	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CH3)(CNO){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	123.4460	0.000	1	123.4460	0.000	1	124.4105	1.861	2	124.4105	1.861	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	3:4:4:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:O-2:	C[5a]-3:C[3]-4:C[3]-4:O-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC)	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC){1|S<2>,2|H<1>,3|C<3>}	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2{2|C<3>,3|C<4>}	C[6a](C[3]C[5,6]C[3]O[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,3|C<3>,3|H<1>}	122.6400	0.000	1	122.6400	0.000	1	122.0440	0.710	2	122.0440	0.710	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	121.4480	0.000	1	121.4480	0.000	1	122.0440	0.710	2	122.0440	0.710	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:N-2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){3|C<3>,4|H<1>}	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	124.1760	0.000	1	124.1760	0.000	1	124.1760	0.000	1	123.0820	2.394	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:N-2:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]N)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]N)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2N){3|C<3>,4|H<1>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	123.0820	2.394	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:4:3:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,3|C<3>,3|H<1>}	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:2:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC)	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O)	C[3](C[3]C[5a]C[3]O)(C[6a]C[6a]2)(C[3]C[3]CH)(OC){1|S<2>,2|H<1>,3|C<3>}	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.6550	0.000	1	121.6550	0.000	1	121.6550	0.000	1	121.6550	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	3:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	120.9600	7.258	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	3:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	120.9600	7.258	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	120.3030	0.000	1	120.3133	1.813	3	118.8661	4.902	14	118.8661	4.902	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	120.3185	1.904	2	120.3133	1.813	3	118.8661	4.902	14	118.8661	4.902	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	118.4280	0.953	3	117.6267	2.062	9	118.8661	4.902	14	118.8661	4.902	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	117.2260	1.536	6	117.6267	2.062	9	118.8661	4.902	14	118.8661	4.902	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	122.2725	0.532	2	122.2725	0.284	2	118.8661	4.902	14	118.8661	4.902	14	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:2:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:N-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,2|C<3>,4|H<1>}	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|B<3>,2|C<3>,4|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	118.2815	0.825	2	118.2815	0.681	2	118.2815	0.681	2	118.2567	0.342	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:3:4:4:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[3]-4:Si-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,4|H<1>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	118.2567	0.342	3	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	118.9190	0.000	1	118.9190	0.000	1	119.0260	0.076	3	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(Cl)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	119.0795	0.368	2	119.0795	0.136	2	119.0260	0.076	3	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]B[5]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]C)(C[3]B[5]C[3]H)(H)2{2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|B<3>,1|C<3>,4|H<1>}	119.3460	0.014	2	119.3460	0.000	2	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]BrC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]BrC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	120.4850	0.000	1	120.4850	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]C[6]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	119.9630	0.000	1	119.9630	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[5]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	119.6320	0.000	1	119.6320	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)(CN[6]O){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Cl<1>,1|C<3>,4|H<1>}	120.2890	0.861	2	120.2890	0.742	2	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]SiH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]SiH)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<3>,1|C<3>,5|H<1>}	117.8350	0.000	1	117.8350	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]C)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	123.2710	0.000	1	123.2710	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2{2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|B<3>,2|C<3>,4|H<1>}	118.8380	0.000	1	118.8380	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)2(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)2(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.4140	1.540	2	119.4140	2.372	2	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	120.6913	1.220	3	119.5134	3.172	9	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	118.9245	1.798	6	119.5134	3.172	9	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]N)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]N)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]N)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<2>,2|C<3>,4|H<1>}	121.8810	0.000	1	121.8810	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]C)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]C)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<4>,2|C<3>,4|H<1>}	121.7340	0.000	1	121.7340	0.000	1	119.8851	2.531	23	119.7860	2.312	26	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]SeC)(H)2	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]SeC)(H)2{2|C<3>,2|O<2>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	117.8250	0.000	1	117.8250	0.000	1	119.0075	2.797	2	119.0075	2.797	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2{2|O<2>,4|C<3>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	120.1900	0.000	1	120.1900	0.000	1	119.0075	2.797	2	119.0075	2.797	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:2:4:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:C[3]-4:Se-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH)	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH){2|C<3>,2|O<2>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	118.4890	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,1|B<3>,1|C<3>,4|H<1>}	116.3915	0.019	2	116.3915	0.000	2	116.3915	0.000	2	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:C-3:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHO)(Br)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHO)(Br){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CC[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	119.8030	0.823	3	119.8030	0.677	3	119.8030	0.677	3	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|Br<1>,2|C<3>,3|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	120.8220	0.130	2	120.8220	0.017	2	120.8220	0.017	2	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:Si-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Si<3>,1|C<3>,5|H<1>}	119.5240	0.000	1	119.5240	0.000	1	119.5240	0.000	1	119.1310	3.552	10	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:3:	4:4:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	120.2620	0.000	1	120.2620	0.000	1	120.8350	0.657	2	120.8350	0.657	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:3:4:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	121.4080	0.000	1	121.4080	0.000	1	120.8350	0.657	2	120.8350	0.657	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:3:4:3:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	119.3515	1.258	2	119.3515	1.582	2	119.3515	1.582	2	119.3515	1.582	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:3:4:3:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:Si-4:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3)	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]Si)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,4|C<3>}	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]BrC)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]BrC)(H)2{2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	121.2800	0.000	1	121.2800	0.000	1	120.4360	1.724	5	120.4360	1.724	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH)	C[3](C[3]C[6a]C[3]C)2(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)2(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	120.8140	1.959	2	120.8140	3.836	2	120.4360	1.724	5	120.4360	1.724	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	119.0110	0.000	1	119.0110	0.000	1	120.4360	1.724	5	120.4360	1.724	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	120.2610	0.000	1	120.2610	0.000	1	120.4360	1.724	5	120.4360	1.724	5	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:Si-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3)	C[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]C)(H)2	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(SiC3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]C)(H)2{4|C<3>}	C[6a](C[3]C[3]2Si)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:3:4:4:	4:4:3:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C[3]-4:C-3:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(Br)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(Br){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	118.5530	0.000	1	118.5530	0.000	1	118.5530	0.000	1	118.5530	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	123.6560	0.000	1	125.3423	2.135	3	125.3423	2.135	3	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:Br-1:Br-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]Br2)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,5|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(Br)2{1|O<1>,5|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,2|H<1>,3|C<3>}	126.1855	0.069	2	125.3423	2.135	3	125.3423	2.135	3	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.3640	0.000	1	123.3640	0.000	1	122.3215	3.697	6	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	124.3360	0.000	1	124.3360	0.000	1	122.3215	3.697	6	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<2>,1|N<3>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	124.3980	0.000	1	121.5572	3.668	4	122.3215	3.697	6	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.6103	0.350	3	121.5572	3.668	4	122.3215	3.697	6	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	122.4877	0.533	3	122.2860	0.352	4	122.2860	0.352	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	121.6810	0.000	1	122.2860	0.352	4	122.2860	0.352	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	125.7800	0.000	1	125.7800	0.000	1	125.0258	0.864	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]C[6a]H)(H)2{1|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	123.9500	0.000	1	123.9500	0.000	1	125.0258	0.864	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(H)2{1|N<2>,1|O<2>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	124.5490	0.000	1	124.5490	0.000	1	125.0258	0.864	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]C[6a]H)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[5,6]C[3])(C[3]C[3,6]C[6a]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	125.8240	0.000	1	125.8240	0.000	1	125.0258	0.864	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:Br-1:Br-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(Br)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	124.3930	0.000	1	124.5997	0.129	3	124.6977	0.124	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	125.0140	0.000	1	124.5997	0.129	3	124.6977	0.124	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	124.3920	0.000	1	124.5997	0.129	3	124.6977	0.124	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(H)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(H)2{6|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	124.9920	0.000	1	124.9920	0.000	1	124.6977	0.124	4	123.6578	3.178	22	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C-2:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:2:2:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,3|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C-3:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]C[3]H)2(CClC)(Cl)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)2(CClC)(Cl){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	121.2780	2.307	2	121.2780	5.320	2	121.2780	5.320	2	121.7532	1.331	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	122.0760	0.141	2	122.0760	0.020	2	121.9907	0.219	4	121.7532	1.331	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|Cl<1>,3|C<3>,3|H<1>}	121.9055	0.780	2	121.9055	0.608	2	121.9907	0.219	4	121.7532	1.331	6	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	B[3]-4:C[3]-4:C[6a]-3:H-1:	B[3]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H)	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[3](B[3]C[6a]C[3]C[5])(C[3]C[6a]B[3]H)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[3]B[3]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.0632	0.914	8	122.0632	0.835	8	122.0632	0.835	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|O<1>,1|S<4>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	120.6240	0.000	1	120.6240	0.000	1	123.8130	2.606	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.8605	0.517	2	122.8605	0.267	2	123.8130	2.606	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	124.8243	0.602	3	124.8243	0.363	3	123.8130	2.606	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(COO)(H){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	124.8430	0.270	2	124.8430	0.073	2	123.8130	2.606	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CNO)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CNO)(H){2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	126.4420	0.000	1	126.4420	0.000	1	126.4420	0.000	1	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:N-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H){2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	124.7030	0.000	1	124.7030	0.000	1	124.7030	0.000	1	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3,6]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.6455	0.880	2	121.6455	0.775	2	121.6455	0.775	2	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCH)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCH)(H){2|C<3>,2|O<1>,2|O<2>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	125.2710	0.000	1	125.2710	0.000	1	122.5880	3.495	5	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]O)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.5880	3.495	5	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CHO)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CHO)(H){2|C<3>,2|C<4>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.6380	0.000	1	123.6380	0.000	1	122.5880	3.495	5	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CNO)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CNO)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.7390	0.000	1	120.7390	0.000	1	122.5880	3.495	5	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){4|C<3>,4|H<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.1530	0.000	1	121.1530	0.000	1	122.5880	3.495	5	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	123.6890	1.285	4	123.6890	1.652	4	123.6890	1.652	4	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[3]-4:N[3]-4:C[6a]-3:H-1:	C[3]-4:N[3]-4:C[6a]-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]PdC)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	123.5897	1.891	8	123.5897	3.574	8	123.5897	3.574	8	123.1854	2.883	37	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:C-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN){2|C<3>,2|N<3>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-3:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCO)2	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CCO)2{2|C<3>,2|N<3>,2|O<1>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	129.9710	0.000	1	129.9710	0.000	1	129.9710	0.000	1	129.9710	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:4:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)2(H)	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[3](C[3,5]C[3,5]C[3]C[5])(C[3]C[6a]C[3]H)2(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	120.3735	1.199	2	120.3735	1.437	2	120.3735	1.437	2	120.3735	1.437	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.2280	0.000	1	121.2280	0.000	1	123.2647	4.928	3	123.8985	4.892	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.2830	1.906	2	124.2830	3.634	2	123.2647	4.928	3	123.8985	4.892	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H)	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H){2|C<3>,2|O<1>,2|O<2>}	C[6a](C[3]C[3,6]C[3]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	123.8985	4.892	4	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C-4:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO){2|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[3]-4:C[6a]-3:O-2:	C[3,5,6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC)	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]C[6a]O)(H)2	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[5,5,6]C[5,6]C[3])(C[3]C[3,5,6]C[6a]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[3]C[3,5,6]C[3]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,4]-4:C[3]-4:C[6a]-3:C-3:	C[3]-4:C[3,4]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO)	C[3](C[3]C[3,4]C[6a]C)(C[3,4]C[3]C[4]2)(H)2	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3](C[3]C[3,4]C[6a]C)(C[3,4]C[3]C[4]2)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[3]C[3,4]C[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	120.5615	0.200	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CSiC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	120.5615	0.200	2	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-3:	C[3,5]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H)	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(CC[6a]O)(H){1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.9950	0.000	1	123.9950	0.000	1	123.9950	0.000	1	123.9950	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Br)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Br<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Br)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	116.3215	0.716	2	116.3215	0.513	2	116.3215	0.513	2	116.2899	2.323	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]HH)(Cl)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	116.6767	1.267	6	116.6767	1.606	6	116.6767	1.606	6	116.2899	2.323	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Br<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(H)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	115.0965	3.123	2	115.0965	9.755	2	115.9919	3.527	8	116.2899	2.323	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(H)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	116.2903	1.600	6	116.2903	2.559	6	115.9919	3.527	8	116.2899	2.323	16	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:3:4:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Br<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Br2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Br<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Br<1>,2|C<3>,2|C<4>,4|H<1>}	111.2640	1.546	2	111.2640	2.389	2	111.1904	1.248	8	111.1904	1.248	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3]	C[3]	C[6a]	4:4:3:4:	4:4:3:4:	3:3:4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[3]-4:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]H)2(C[3]C[3]3)	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]2)(C[3]C[3]Cl2)(C[6a]C[6a]2)(C[3]C[3]HH){2|Cl<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]C[3]3){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	111.1658	1.125	6	111.1658	1.266	6	111.1904	1.248	8	111.1904	1.248	8	121.2716	7.499	1024	121.6213	11.970	1716
486	486	643	0:SP3_SP2_SP3	C[3x3]	C[3x3]	C[6a]	4:4:4:3:	4:4:4:4:	4:3:3:	C[3x3]-4:C[3x3]-4:C[3x3]-4:C[6a]-3:	C[3x3]-4:C[3x3]-4:C[3x3]-4:Si-4:	C[3x3]-4:C[6a]-3:C[6a]-3:	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2)	C[3x3](C[3x3]C[3x3]2C[6a])(C[3x3]C[3x3]2Si)2(SiC3)	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2	C[3x3](C[3x3]C[3x3]2Si)3(C[6a]C[6a]2){2|C<3>,2|F<1>}	C[3x3](C[3x3]C[3x3]2C[6a])(C[3x3]C[3x3]2Si)2(SiC3){2|C<3>}	C[6a](C[3x3]C[3x3]3)(C[6a]C[6a]F)2{3|Si<4>,1|C<3>,2|F<1>}	143.8775	2.457	6	143.8775	6.035	6	143.8775	6.035	6	143.8775	6.035	6	143.8775	6.035	6	121.6213	11.970	1716
486	486	643	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6,6a]	4:4:3:1:	4:4:4:1:	3:4:3:	C[3,5,6]-4:C[3,5,6]-4:C[6,6,6a]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H)	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	118.3730	0.061	2	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6,6]	C[3,5,6]	C[6,6,6a]	4:4:3:1:	4:4:4:4:	3:4:3:	C[3,5,6]-4:C[3,5,6]-4:C[6,6,6a]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C-4:	C[6,6,6a]-3:C[3,6,6]-4:C[6a]-3:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(CH3)	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	118.3730	0.061	2	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,3x6]	C[6,6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,5,6]	C[6,6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[3,5,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[3,5,6]C[5,6a]C[5,6]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,5,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,6]-4:C[3,6,6]-4:C[6,6a]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:2:1:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	118.6025	0.180	2	118.6025	0.033	2	118.6025	0.033	2	118.6025	0.033	2	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[4,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.7470	0.173	2	117.7470	0.030	2	117.7470	0.030	2	117.7470	0.030	2	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	118.8635	0.200	2	118.8635	0.040	2	118.5547	0.306	3	118.5547	0.306	3	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	117.9370	0.000	1	117.9370	0.000	1	118.5547	0.306	3	118.5547	0.306	3	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	118.1548	0.147	5	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]BrC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	118.0780	0.663	2	118.0780	0.440	2	118.1917	0.187	4	118.1548	0.147	5	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	118.3055	0.262	2	118.3055	0.069	2	118.1917	0.187	4	118.1548	0.147	5	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	115.9470	0.000	1	115.9470	0.000	1	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.3510	0.000	1	118.3510	0.000	1	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H){2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	115.0620	0.000	1	115.0620	0.000	1	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|F<1>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	117.5830	0.314	2	117.5830	0.099	2	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	118.1870	0.000	1	118.1870	0.000	1	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H){1|S<4>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	117.2990	0.000	1	117.2990	0.000	1	117.1446	1.470	7	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3]-4:N[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]C)(C[3,6]C[3]N[6]H)(H){2|H<1>,5|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	117.0941	1.280	8	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	116.8170	0.185	2	116.8170	0.034	2	116.8170	0.034	2	116.8170	0.034	2	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.5370	0.000	1	118.2200	0.381	3	118.4166	0.278	5	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.5615	0.248	2	118.2200	0.381	3	118.4166	0.278	5	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	118.5350	0.000	1	118.5350	0.000	1	118.4166	0.278	5	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	118.8880	0.000	1	118.8880	0.000	1	118.4166	0.278	5	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	118.7270	0.000	1	118.6315	0.018	2	118.6315	0.018	2	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	118.5360	0.000	1	118.6315	0.018	2	118.6315	0.018	2	118.4780	0.200	7	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N[6])(C[3]C[3,6]Cl2)(H){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.4090	0.099	2	118.4090	0.010	2	118.4090	0.010	2	118.4090	0.010	2	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:1:	4:4:4:4:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(COO){1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.9920	0.000	1	115.9920	0.000	1	115.9920	0.000	1	115.2493	0.418	3	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	114.8140	0.000	1	114.8140	0.000	1	114.8780	0.008	2	115.2493	0.418	3	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2){2|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	114.9420	0.000	1	114.9420	0.000	1	114.8780	0.008	2	115.2493	0.418	3	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:N[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H)	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(N[6]C[6]2H){2|C<3>,3|C<4>,7|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	3:4:4:4:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[3]-4:C[3]-4:	C[3,6]-4:C[3]-4:C[3]-4:O[6]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6])	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2O[6])(C[3]C[3]HH)2{3|C<3>,5|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	110.8085	0.138	2	110.8085	0.019	2	110.8085	0.019	2	110.8085	0.019	2	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:3:4:1:	3:4:4:3:	3:4:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	C[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[6a]H)(H){1|H<1>,8|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:3:4:1:	4:3:4:4:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]C[3]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0957	0.437	4	119.0957	0.191	4	119.0957	0.191	4	118.5656	0.377	9	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[3,6]C[6a]C[3]N[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)(H){2|H<1>,5|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.1414	0.325	5	118.1414	0.105	5	118.1414	0.105	5	118.5656	0.377	9	117.7404	3.655	54	117.7775	3.559	59
486	486	643	6:SP3_SP2_SP3	C[3,6]	C[3,6]	C[6,6a]	4:3:4:3:	4:4:3:4:	4:3:3:	C[3,6]-4:C[6,6a]-3:C[3]-4:C-3:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO)	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]CH)(COO){1|O<2>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]C)(C[3]C[3,6]CH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	117.7404	3.655	54	117.7775	3.559	59