474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<2>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.0420	0.514	2	107.1868	0.199	4	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	107.0420	0.514	2	107.1868	0.199	4	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	107.3150	0.000	1	107.3150	0.000	1	107.3315	0.001	2	107.3315	0.001	2	107.1868	0.199	4	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	107.3480	0.000	1	107.3480	0.000	1	107.3315	0.001	2	107.3315	0.001	2	107.1868	0.199	4	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[6,6]	3:3:4:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.8610	0.000	1	117.7080	2.659	2	117.7080	2.659	2	117.7080	2.659	2	117.7080	2.659	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[6,6]	3:3:4:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	116.5550	0.000	1	117.7080	2.659	2	117.7080	2.659	2	117.7080	2.659	2	117.7080	2.659	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	116.8465	3.472	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[6]	4:3:2:3:	4:3:3:	4:3:1:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	116.8465	3.472	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6a]	C[6,6]	4:3:4:3:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6]-3:C[6]-3:	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	115.6665	4.030	2	115.6665	16.239	2	115.6665	16.239	2	115.6665	16.239	2	115.6665	16.239	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[6]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.4870	5.019	2	110.4870	25.191	2	110.4870	25.191	2	110.4870	25.191	2	110.4870	25.191	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[3x6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,1|O<1>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	117.9990	1.679	2	117.9990	2.818	2	117.9990	2.818	2	117.9990	2.818	2	117.9990	2.818	2	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	101.7420	0.000	1	101.7420	0.000	1	101.7420	0.000	1	101.7420	0.000	1	112.0290	47.079	5	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H)	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	112.0290	47.079	5	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.3115	0.148	2	118.3115	0.022	2	118.3115	0.022	2	118.3115	0.022	2	112.0290	47.079	5	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[6]	4:3:2:3:	4:3:3:	4:3:4:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	112.0290	47.079	5	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6,6]	C[5a,6]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:3:	3:4:2:	4:3:1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-4:S[5a]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a])	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	112.4555	1.501	2	112.4555	2.254	2	112.4555	2.254	2	112.4555	2.254	2	111.9263	1.758	7	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H)	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.9575	1.025	2	111.9575	1.050	2	111.9575	1.050	2	112.0667	1.676	4	111.9263	1.758	7	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	112.1760	1.983	2	112.1760	3.931	2	112.1760	3.931	2	112.0667	1.676	4	111.9263	1.758	7	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:4:3:1:	4:3:3:	4:3:2:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	111.9263	1.758	7	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:2:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:2:	3:3:4:	4:3:2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O)	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O){1|C<4>,2|O<2>,7|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	114.4325	0.141	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	114.4325	0.141	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.5085	0.535	2	113.5085	0.287	2	113.5085	0.287	2	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	113.6490	0.000	1	115.1573	1.526	4	114.7675	1.281	6	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	116.2230	0.000	1	115.1573	1.526	4	114.7675	1.281	6	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	115.3785	1.034	2	115.1573	1.526	4	114.7675	1.281	6	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.9880	0.040	2	113.9880	0.002	2	114.7675	1.281	6	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.1283	0.705	3	113.1283	0.497	3	113.4412	1.659	10	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	112.8250	0.437	3	113.9248	1.678	6	113.4412	1.659	10	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.3780	0.016	2	113.9248	1.678	6	113.4412	1.659	10	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	114.3180	0.000	1	113.9248	1.678	6	113.4412	1.659	10	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	111.4780	0.000	1	111.4780	0.000	1	113.4412	1.659	10	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	115.5245	0.136	2	115.5245	0.019	2	115.5245	0.019	2	113.9796	1.785	21	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,5|C<3>}	115.7770	0.000	1	115.7770	0.000	1	115.7770	0.000	1	113.5105	10.274	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	113.5105	10.274	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:4:1:	4:3:3:	4:4:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:4:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	113.9960	0.000	2	113.9960	0.000	2	113.9960	0.000	2	113.9960	0.000	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.8770	0.000	2	110.8770	0.000	2	110.8770	0.000	2	110.8770	0.000	2	113.3402	4.747	35	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:2:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	117.9167	1.525	3	117.9167	2.325	3	117.9167	2.325	3	117.9167	2.325	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:2:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:2:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	113.0152	2.115	4	113.0152	4.472	4	113.0152	4.472	4	113.0152	4.472	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:2:	3:3:4:	4:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	110.7763	1.243	4	110.7763	1.545	4	110.7763	1.545	4	110.7763	1.545	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	110.7370	0.000	2	110.7370	0.000	2	110.7370	0.000	2	109.8874	3.351	5	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	110.6750	0.000	2	110.6750	0.000	2	110.6750	0.000	2	109.8874	3.351	5	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O){1|H<1>,5|C<3>}	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	109.8874	3.351	5	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	107.2000	0.000	1	107.8120	0.749	2	107.8120	0.749	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	108.4240	0.000	1	107.8120	0.749	2	107.8120	0.749	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.7340	1.475	8	111.7340	2.176	8	111.6586	1.918	11	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	109.9130	0.000	1	109.9130	0.000	1	111.6586	1.918	11	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	112.2300	0.444	2	112.2300	0.197	2	111.6586	1.918	11	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	108.3650	0.000	1	107.0595	3.409	2	107.0595	3.409	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	105.7540	0.000	1	107.0595	3.409	2	107.0595	3.409	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	N[5,5a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.3760	0.720	2	109.3760	0.518	2	109.3760	0.518	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	108.2550	0.000	1	104.8310	8.800	3	104.8310	8.800	3	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	103.0370	0.000	1	104.8310	8.800	3	104.8310	8.800	3	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	103.2010	0.000	1	104.8310	8.800	3	104.8310	8.800	3	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	113.0310	0.000	1	113.0310	0.000	1	113.2805	0.125	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	113.5300	0.000	1	113.5300	0.000	1	113.2805	0.125	2	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	108.8700	0.000	1	109.2395	0.273	2	110.4437	4.830	10	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	109.6090	0.000	1	109.2395	0.273	2	110.4437	4.830	10	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	110.9700	3.388	4	110.7447	5.653	8	110.4437	4.830	10	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	110.5195	1.255	4	110.7447	5.653	8	110.4437	4.830	10	110.0697	7.950	32	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.5300	0.000	1	112.5300	0.000	1	111.6155	2.050	6	111.5934	1.712	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.2995	1.394	2	111.4326	2.312	5	111.6155	2.050	6	111.5934	1.712	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	109.8520	0.000	1	111.4326	2.312	5	111.6155	2.050	6	111.5934	1.712	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	111.3560	1.814	2	111.4326	2.312	5	111.6155	2.050	6	111.5934	1.712	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.5934	1.712	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	112.3690	1.500	2	113.1807	3.102	3	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.8040	0.000	1	113.1807	3.102	3	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	112.8585	1.426	2	112.8585	2.034	2	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	110.6630	0.000	1	113.0807	5.867	4	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	115.4280	0.000	1	113.0807	5.867	4	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	113.1160	2.499	2	113.0807	5.867	4	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	114.1950	1.004	2	114.1950	1.008	2	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	114.1710	0.000	1	114.1710	0.000	1	113.3453	2.710	12	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	111.6380	0.000	1	112.3923	0.535	4	112.3923	0.535	4	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	112.8505	0.767	2	112.3923	0.535	4	112.3923	0.535	4	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	112.2300	0.000	1	112.3923	0.535	4	112.3923	0.535	4	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	113.9350	0.000	1	112.7648	2.643	4	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	111.3670	0.100	2	112.7648	2.643	4	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	114.3900	0.000	1	112.7648	2.643	4	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	113.6830	0.000	1	113.6500	0.002	2	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	113.6170	0.000	1	113.6500	0.002	2	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	114.3960	0.000	1	114.3960	0.000	1	113.2507	1.751	7	113.1507	2.034	23	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	107.9668	1.695	4	107.9668	2.873	4	107.9668	2.873	4	107.9668	2.873	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:2:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H){1|N<2>,6|C<3>}	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	107.5733	3.133	4	107.5733	9.819	4	107.5733	9.819	4	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){7|C<3>}	113.0740	0.000	1	113.0740	0.000	1	108.7640	20.092	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){7|C<3>}	109.0910	0.000	1	109.0910	0.000	1	108.7640	20.092	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	104.1270	0.000	1	104.1270	0.000	1	108.7640	20.092	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	111.4210	0.000	1	111.4210	0.000	1	108.5605	16.365	2	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	105.7000	0.000	1	105.7000	0.000	1	108.5605	16.365	2	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	107.3640	0.000	1	107.3640	0.000	1	111.2270	11.335	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.7810	0.000	1	113.1585	0.285	2	111.2270	11.335	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	113.5360	0.000	1	113.1585	0.285	2	111.2270	11.335	3	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|Si<4>,1|H<1>,5|C<3>}	104.0870	0.000	1	104.0870	0.000	1	104.2458	3.243	6	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	103.6220	0.837	2	103.6220	0.701	2	104.2458	3.243	6	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	107.4940	0.000	1	104.7147	7.026	3	104.2458	3.243	6	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	104.4350	0.000	1	104.7147	7.026	3	104.2458	3.243	6	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	102.2150	0.000	1	104.7147	7.026	3	104.2458	3.243	6	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:I-1:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I){7|C<3>}	112.2635	2.286	2	112.2635	5.226	2	112.2635	5.226	2	108.5818	17.825	25	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.5010	0.000	1	112.5010	0.000	1	113.5005	1.998	2	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	114.5000	0.000	1	114.5000	0.000	1	113.5005	1.998	2	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	114.0850	0.000	1	113.8836	1.249	8	113.8836	1.249	8	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	115.1490	0.000	1	113.8836	1.249	8	113.8836	1.249	8	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	114.5470	0.394	3	113.8836	1.249	8	113.8836	1.249	8	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.6400	0.000	1	113.8836	1.249	8	113.8836	1.249	8	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.7770	1.213	2	113.8836	1.249	8	113.8836	1.249	8	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	111.8830	1.042	3	111.8830	1.087	3	112.2949	0.763	9	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.7213	1.055	3	112.4132	0.735	5	112.2949	0.763	9	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	111.9510	0.018	2	112.4132	0.735	5	112.2949	0.763	9	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	112.9390	0.000	1	112.9390	0.000	1	112.2949	0.763	9	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.8150	0.000	1	112.8150	0.000	1	113.5033	0.266	4	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	113.9640	0.000	1	113.7327	0.083	3	113.5033	0.266	4	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	113.8250	0.000	1	113.7327	0.083	3	113.5033	0.266	4	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	113.4090	0.000	1	113.7327	0.083	3	113.5033	0.266	4	113.1113	1.335	24	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	114.2090	0.000	1	114.2090	0.000	1	114.2090	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	115.7170	0.000	1	115.7170	0.000	1	115.7170	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a]){1|N<2>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	113.5593	6.907	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	117.0230	0.000	1	117.0230	0.000	1	117.4310	0.333	2	117.4310	0.333	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	117.8390	0.000	1	117.8390	0.000	1	117.4310	0.333	2	117.4310	0.333	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:2:	4:2:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	119.4070	0.000	1	119.4070	0.000	1	120.8840	1.472	5	119.7425	12.225	11	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.9015	1.182	2	121.9015	1.396	2	120.8840	1.472	5	119.7425	12.225	11	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.6050	0.290	2	120.6050	0.084	2	120.8840	1.472	5	119.7425	12.225	11	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	120.6398	0.689	5	120.6398	0.474	5	120.6398	0.474	5	119.7425	12.225	11	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	119.7425	12.225	11	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5]){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,6|C<3>}	110.2835	1.964	2	110.2835	3.856	2	110.2835	3.856	2	110.9146	5.511	8	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	110.3610	0.147	2	110.3610	0.022	2	110.3610	0.022	2	110.9146	5.511	8	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	110.9146	5.511	8	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	110.2275	1.006	2	110.2275	1.012	2	110.2275	1.012	2	110.9146	5.511	8	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O){3|H<1>,5|C<3>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	110.9146	5.511	8	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	110.8410	84.370	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	110.8410	84.370	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	108.9700	0.000	1	108.9700	0.000	1	110.9695	7.996	2	110.9695	7.996	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	112.9690	0.000	1	112.9690	0.000	1	110.9695	7.996	2	110.9695	7.996	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	114.0855	0.702	2	114.0855	0.493	2	114.0855	0.493	2	114.0855	0.493	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.0035	0.271	2	109.0035	0.073	2	109.0035	0.073	2	109.0035	0.073	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	108.2890	2.332	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.7975	1.764	2	108.7975	3.113	2	108.7975	3.113	2	108.2890	2.332	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:2:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-2:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.2160	0.000	1	113.6765	12.898	2	113.6765	12.898	2	113.6765	12.898	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:2:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-2:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	111.1370	0.000	1	113.6765	12.898	2	113.6765	12.898	2	113.6765	12.898	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	115.8360	2.227	4	115.8360	4.962	4	114.8797	6.422	6	114.1390	9.192	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	114.7350	0.000	1	114.7350	0.000	1	114.8797	6.422	6	114.1390	9.192	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	111.1990	0.000	1	111.1990	0.000	1	114.8797	6.422	6	114.1390	9.192	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	114.1390	9.192	7	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	118.4850	0.000	1	118.5300	0.004	2	118.5300	0.004	2	118.5300	0.004	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	118.5750	0.000	1	118.5300	0.004	2	118.5300	0.004	2	118.5300	0.004	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:1:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:2:	4:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.8190	0.000	1	115.8190	0.000	1	115.8190	0.000	1	115.8190	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:2:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.1250	0.000	1	112.1250	0.000	1	111.7556	0.421	5	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	111.1430	0.000	1	111.1430	0.000	1	111.7556	0.421	5	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.8450	0.000	1	111.8450	0.000	1	111.7556	0.421	5	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	111.0740	0.000	1	111.0740	0.000	1	111.7556	0.421	5	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	112.5910	0.000	1	112.5910	0.000	1	111.7556	0.421	5	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.9620	0.000	1	111.5680	0.734	2	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.1740	0.000	1	111.5680	0.734	2	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.6380	0.000	1	110.6380	0.000	1	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	113.4090	0.000	1	109.9177	9.480	4	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.6210	0.000	1	109.9177	9.480	4	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.4580	0.000	1	109.9177	9.480	4	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	108.1830	0.000	1	109.9177	9.480	4	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	109.0880	0.000	1	109.0880	0.000	1	110.3166	4.936	8	110.8701	3.551	13	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|B<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	108.8400	0.942	2	108.8400	0.887	2	108.8400	0.887	2	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.4040	0.000	1	110.0200	1.430	7	110.0200	1.430	7	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.8720	0.000	1	110.0200	1.430	7	110.0200	1.430	7	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.6510	0.000	1	110.0200	1.430	7	110.0200	1.430	7	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.1950	0.000	1	110.0200	1.430	7	110.0200	1.430	7	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.6727	0.878	3	110.0200	1.430	7	110.0200	1.430	7	110.4134	5.591	10	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	117.9220	0.000	1	117.9220	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	113.7780	0.000	1	113.7780	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.2700	0.000	1	111.2700	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	116.1280	0.000	1	116.1280	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	116.8910	0.000	1	116.8910	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.2480	0.000	1	109.2480	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.2410	0.000	1	117.2410	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.0820	0.000	1	114.0820	0.000	1	114.5700	9.466	8	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	114.4374	8.441	9	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	112.3135	3.778	4	112.3135	14.274	4	112.3135	14.274	4	112.3135	14.274	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	109.0143	1.135	3	109.0143	1.288	3	109.0143	1.288	3	109.0143	1.288	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	102.7240	0.000	1	102.7240	0.000	1	102.7240	0.000	1	102.7240	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:4:	3:4:2:	4:3:1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a])	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a]){2|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.9740	0.000	1	111.9740	0.000	1	108.9620	7.261	3	108.9620	7.261	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	106.7800	0.000	1	106.7800	0.000	1	108.9620	7.261	3	108.9620	7.261	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.1320	0.000	1	108.1320	0.000	1	108.9620	7.261	3	108.9620	7.261	3	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:4:3:	3:4:3:	4:3:4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	113.9390	0.000	1	113.9390	0.000	1	113.9390	0.000	1	113.9390	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:4:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	105.9850	0.000	1	105.9850	0.000	1	105.9850	0.000	1	105.9850	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	3:4:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	4:3:3:	4:2:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O){6|C<3>}	111.1970	0.860	2	111.1970	0.739	2	111.1970	0.739	2	111.1970	0.739	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	105.8880	0.000	1	105.8880	0.000	1	105.8880	0.000	1	111.7053	16.044	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	112.9360	0.000	2	112.9360	0.000	2	113.6443	1.505	3	111.7053	16.044	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	115.0610	0.000	1	115.0610	0.000	1	113.6443	1.505	3	111.7053	16.044	4	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|N<3>}	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.9955	0.658	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:4:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	106.9955	0.658	2	111.8994	14.310	256	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,5a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H){3|H<1>,7|C<3>}	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:2:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	117.8945	2.091	2	117.8945	4.372	2	117.8945	4.372	2	117.8945	4.372	2	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:2:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.4110	0.000	1	117.4110	0.000	1	115.6695	6.066	2	114.7203	5.736	3	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	113.9280	0.000	1	113.9280	0.000	1	115.6695	6.066	2	114.7203	5.736	3	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	114.7203	5.736	3	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2{1|Pt<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,7|C<3>}	107.4552	2.314	4	107.4552	5.355	4	107.4552	5.355	4	107.4552	5.355	4	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2){1|Pd<4>,4|H<1>,8|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,7|C<3>}	109.8120	1.465	2	109.8120	2.147	2	109.8120	2.147	2	112.7598	11.052	5	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.4785	1.942	2	113.4785	3.773	2	113.4785	3.773	2	112.7598	11.052	5	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	112.7598	11.052	5	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	111.7707	1.560	3	111.7707	2.434	3	111.7707	2.434	3	112.4585	3.515	4	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	112.4585	3.515	4	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2110	0.000	2	121.2110	0.000	2	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	121.2100	0.000	1	121.2100	0.000	1	121.2110	0.000	2	121.2110	0.000	2	113.5503	19.178	23	112.2605	14.588	345
474	727	762	0:SP3_SP2_SP2	C[5]	C[5a]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.9035	1.708	2	113.9035	2.916	2	113.9035	2.916	2	113.9035	2.916	2	113.9035	2.916	2	112.2605	14.588	345
474	727	762	6:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[3x6]	3:3:4:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6]-4:C[6,6]-4:C[6]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	102.5510	0.000	1	102.5510	0.000	1	102.5510	0.000	1	102.5510	0.000	1	102.5510	0.000	1	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[6]	4:3:2:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O){1|H<1>,1|O<2>,5|C<3>}	112.0110	0.208	2	112.0110	0.043	2	112.0110	0.043	2	112.0110	0.043	2	112.0110	0.043	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	112.8620	0.000	1	112.8620	0.000	1	112.0040	1.472	2	112.0040	1.472	2	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	111.1460	0.000	1	111.1460	0.000	1	112.0040	1.472	2	112.0040	1.472	2	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	109.8775	1.337	2	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.8775	1.337	2	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[3x6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	110.8376	2.040	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2{2|H<1>,4|C<3>}	113.8445	1.825	2	113.8445	3.331	2	113.8445	3.331	2	113.8445	3.331	2	113.8445	3.331	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[6,6]	3:3:3:2:	3:3:4:	4:3:2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O)	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O){2|O<2>,7|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	111.5575	0.069	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[6,6]	3:3:4:2:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.5575	0.069	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6]C[5,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6]C[5,6a]C[6]C){1|O<1>,7|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.0585	0.000	2	109.0585	0.000	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:4:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C){1|O<1>,7|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.0585	0.000	2	109.0585	0.000	2	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	108.4890	0.059	2	108.4890	0.004	2	107.6840	0.551	6	107.6564	0.464	7	107.6564	0.464	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.8415	0.001	2	106.8415	0.000	2	107.6840	0.551	6	107.6564	0.464	7	107.6564	0.464	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	107.7215	0.177	2	107.7215	0.032	2	107.6840	0.551	6	107.6564	0.464	7	107.6564	0.464	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	107.6564	0.464	7	107.6564	0.464	7	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	3:4:3:	3:4:1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a]){3|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[6]-3:I-1:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a])	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|I<1>,9|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]C[6,6a]H)(I){7|C<3>}	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	106.4280	0.000	1	106.4280	0.000	1	106.4280	0.000	1	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	106.3213	1.102	3	106.5288	0.485	8	106.5288	0.485	8	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	107.0515	0.394	2	106.5288	0.485	8	106.5288	0.485	8	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	106.1620	0.000	1	106.5288	0.485	8	106.5288	0.485	8	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	106.5005	0.043	2	106.5288	0.485	8	106.5288	0.485	8	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	106.7483	0.911	10	107.9186	5.101	14	109.0760	7.138	37
474	727	762	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[6,6]-3:C-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|N<3>,1|O<1>,1|S<2>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	107.9186	5.101	14	109.0760	7.138	37
474	727	770	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	B	4:3:4:3:	4:3:3:	4:2:2:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O-2:O-2:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	B(C[5,6]C[5,6a]Si[5,6]C[6])(OH)2	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	116.9117	2.525	4
474	727	770	0:SP3_SP2_SP2	C[5]	C[5,6a]	B	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	116.8160	3.732	3	116.9117	2.525	4
474	727	770	0:SP3_SP2_SP2	C[5]	C[5,6a]	B	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:B-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	B(C[5]C[5,6a]2H)(NCC)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(C[5]C[5,6a]2H)(NCC)(NCH)	117.9150	0.467	2	117.9150	0.218	2	117.9150	0.218	2	117.9150	0.218	2	116.8160	3.732	3	116.9117	2.525	4
474	727	778	0:SP3_SP2_SPD5	C[5]	C[5,6a]	C[3x3,4,3x5,14x6]	5:3:4:1:	4:3:3:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5]-4:	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5]C[5,6a]C[5]H)	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5]C[5,6a]C[5]H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,7|H<1>}	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1
474	727	786	0:SP3_SP2_SP3	C[5,5]	C[5,6a]	B[5]	3:4:3:1:	4:3:3:	4:3:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H){1|Li<3>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1
474	727	786	5:SP3_SP2_SP3	C[5]	C[5,6a]	B[5]	3:4:1:1:	3:3:4:	3:4:3:1:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-3:C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH)	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|H<1>,2|C<4>,3|C<3>}	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H){2|C<4>,6|C<3>}	105.7280	0.000	1	105.7280	0.000	1	105.7280	0.000	1	105.7280	0.000	1	104.3600	1.417	3	104.3600	1.417	3
474	727	786	5:SP3_SP2_SP3	C[5]	C[5,6a]	B[5]	3:4:1:1:	3:3:4:	4:4:3:1:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	103.7930	0.000	1	103.7930	0.000	1	103.7930	0.000	1	103.7930	0.000	1	104.3600	1.417	3	104.3600	1.417	3
474	727	786	5:SP3_SP2_SP3	C[5]	C[5,6a]	B[5]	3:4:1:1:	3:3:4:	4:4:3:4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-4:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	104.3600	1.417	3	104.3600	1.417	3
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5,6a]	Cl	3:3:4:1:	4:3:3:	4:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,5,6]C[5,5,6a]C[5,6,6a]C[5,5,6])	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,1|C<4>,6|C<3>}	Cl(C[5,5,6]C[5,5,6a]C[5,6,6a]C[5,5,6])	112.6880	0.000	1	112.6880	0.000	1	112.6880	0.000	1	112.6880	0.000	1	113.8965	2.921	2	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5,6a]	Cl	4:4:3:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl)	C[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl)	Cl(C[5,5,6]C[5,5,6a]C[5,6,6]2)	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,5|C<3>}	Cl(C[5,5,6]C[5,5,6a]C[5,6,6]2)	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	113.8965	2.921	2	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,5,6]C[5,5,6a]C[5,6,6a]C[5,5,6])	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,5,6a]C[5,6,6a]C[5,5,6])	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	112.5420	0.000	1	112.5420	0.000	1	112.1448	0.198	4	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	111.8250	0.416	2	111.8250	0.173	2	112.1448	0.198	4	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	112.3870	0.000	1	112.3870	0.000	1	112.1448	0.198	4	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	111.4240	0.008	2	111.4240	0.000	2	111.4240	0.000	2	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	111.1375	1.392	2	111.1375	1.938	2	111.1375	1.938	2	111.2330	1.623	10	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	112.2050	1.278	4	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	111.6683	0.435	3	111.6683	0.189	3	111.6683	0.189	3	112.2050	1.278	4	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]2C[5,5,6])	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	118.0870	10.631	5	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	119.5293	0.555	4	119.5293	0.308	4	119.5293	0.308	4	118.0870	10.631	5	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl){1|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	110.4590	11.568	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a])	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	112.8640	0.000	1	112.8640	0.000	1	112.8640	0.000	1	110.4590	11.568	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	4:3:2:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	Cl(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	Cl(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	114.5939	0.867	8	114.5939	0.751	8	114.5939	0.751	8	114.5939	0.751	8	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	117.0425	2.830	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	117.0425	2.830	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	4:3:4:1:	3:3:4:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.1765	0.028	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	4:3:4:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.1765	0.028	2	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	Cl	4:4:3:1:	3:4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	112.9465	11.548	37	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	Cl	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:Cl-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	Cl(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	Cl(C[5,5]C[5,5,6,6]C[5,6a]C[5])	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	113.2450	0.000	1	114.1665	1.698	2	113.2495	1.759	4	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	115.0880	0.000	1	114.1665	1.698	2	113.2495	1.759	4	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	112.3325	0.463	2	112.3325	0.215	2	113.2495	1.759	4	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	111.1150	0.479	2	111.1150	0.230	2	111.1150	0.230	2	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	112.3700	0.143	2	112.3700	0.020	2	112.0040	2.186	8	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	110.9788	0.615	4	110.9788	0.378	4	112.0040	2.186	8	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	112.2750	0.000	1	112.2750	0.000	1	112.0040	2.186	8	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	115.1020	0.000	1	115.1020	0.000	1	112.0040	2.186	8	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	112.4720	0.000	1	113.6430	1.247	3	113.6430	1.247	3	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	114.2285	0.661	2	113.6430	1.247	3	113.6430	1.247	3	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	112.5626	2.192	18	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	111.2490	0.000	1	112.1460	1.962	4	112.1460	1.962	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	112.3840	0.000	1	112.1460	1.962	4	112.1460	1.962	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	110.9250	0.000	1	112.1460	1.962	4	112.1460	1.962	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	114.0260	0.000	1	112.1460	1.962	4	112.1460	1.962	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl){1|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	110.8675	2.937	2	110.8675	8.624	2	110.8675	8.624	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	114.4640	0.000	1	114.4640	0.000	1	111.6508	5.243	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	112.4520	0.000	1	112.4520	0.000	1	111.6508	5.243	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	110.4090	0.000	1	110.4090	0.000	1	111.6508	5.243	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	109.2780	0.000	1	109.2780	0.000	1	111.6508	5.243	4	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	109.3750	0.205	2	109.3750	0.042	2	109.3750	0.042	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	111.7320	0.819	2	111.7320	0.670	2	112.3963	1.659	3	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	113.7250	0.000	1	113.7250	0.000	1	112.3963	1.659	3	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	109.3100	0.000	1	109.3100	0.000	1	111.5572	3.574	5	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	113.1310	1.720	2	113.1310	2.957	2	111.5572	3.574	5	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[6,6,6a])	111.1070	0.964	2	111.1070	0.930	2	111.5572	3.574	5	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	112.2945	1.200	2	112.2945	1.440	2	112.2945	1.440	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	112.2700	0.709	2	112.2700	0.502	2	112.2700	0.502	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	109.6620	0.817	2	109.6620	0.668	2	109.6620	0.668	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	110.1970	0.430	2	110.1970	0.185	2	110.1970	0.185	2	111.4105	2.855	28	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	108.4820	0.000	1	108.4820	0.000	1	109.3755	1.597	2	111.1020	9.741	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	110.2690	0.000	1	110.2690	0.000	1	109.3755	1.597	2	111.1020	9.741	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	111.1020	9.741	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.1400	0.000	1	107.9420	1.286	2	107.9420	1.286	2	107.9420	1.286	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.7440	0.000	1	107.9420	1.286	2	107.9420	1.286	2	107.9420	1.286	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	110.7920	0.000	1	111.9460	2.663	2	111.9460	2.663	2	111.9460	2.663	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	113.1000	0.000	1	111.9460	2.663	2	111.9460	2.663	2	111.9460	2.663	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	112.4665	1.375	2	112.4665	1.892	2	112.4665	1.892	2	112.4665	1.892	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6]){3|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,5,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	106.6696	3.755	5	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	104.3690	0.000	1	105.1650	1.267	2	105.1650	1.267	2	106.6696	3.755	5	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	105.9610	0.000	1	105.1650	1.267	2	105.1650	1.267	2	106.6696	3.755	5	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,5,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	106.6696	3.755	5	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	106.6696	3.755	5	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.5830	2.906	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	108.5010	0.000	1	107.0585	4.162	2	107.0585	4.162	2	107.5830	2.906	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	105.6160	0.000	1	107.0585	4.162	2	107.0585	4.162	2	107.5830	2.906	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:3:3:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){2|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	110.7520	4.202	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:3:3:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	109.5710	0.187	2	109.5710	0.035	2	109.5710	0.035	2	110.7520	4.202	3	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:3:3:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:3:4:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:4:3:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	110.0825	7.829	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	Cl	4:4:3:1:	3:3:4:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	110.0825	7.829	2	110.9171	5.954	72	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	Cl	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	Cl(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	Cl(C[5,6]C[5,6a]C[5,6]C[6])	107.8555	0.163	2	107.8555	0.027	2	107.8555	0.027	2	107.8555	0.027	2	107.8555	0.027	2	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-2:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]N[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2{1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	Cl(C[5]C[5,6a]N[5]Cl)	112.0360	0.000	1	111.8825	0.047	2	111.8825	0.047	2	111.6137	0.240	3	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-2:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]N[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2{1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[5]C[5,6a]N[5]Cl)	111.7290	0.000	1	111.8825	0.047	2	111.8825	0.047	2	111.6137	0.240	3	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:1:	3:4:3:	4:	C[5,6a]-3:O[5]-2:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	Cl(C[5]C[5,6a]O[5]H)	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	111.6137	0.240	3	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	Cl(C[5]C[5,6a]C[5]Cl)	111.3380	3.004	2	111.3380	9.023	2	112.6972	1.626	12	112.6972	1.626	12	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Cl(C[5]C[5,6a]C[5]Cl)	113.1192	1.021	4	112.9690	0.492	10	112.6972	1.626	12	112.6972	1.626	12	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	112.6115	0.807	2	112.9690	0.492	10	112.6972	1.626	12	112.6972	1.626	12	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	Cl(C[5]C[5,6a]C[5]Cl)	112.9975	0.318	4	112.9690	0.492	10	112.6972	1.626	12	112.6972	1.626	12	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	Cl(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	Cl(C[5]C[5,6a]C[6a]O[5])	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	Cl(C[5]C[5,6a]C[5]C)	110.7930	0.746	3	110.7930	0.557	3	110.7930	0.557	3	110.7930	0.557	3	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5]C[5,6a]C[5]C)	108.9120	0.000	1	108.9120	0.000	1	110.2635	1.180	4	110.2635	1.180	4	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	Cl(C[5]C[5,6a]C[5]C)	111.1045	0.435	2	111.1045	0.189	2	110.2635	1.180	4	110.2635	1.180	4	111.6550	2.905	23	111.5731	7.734	137
474	727	790	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Cl(C[5]C[5,6a]C[5]C)	109.9330	0.000	1	109.9330	0.000	1	110.2635	1.180	4	110.2635	1.180	4	111.6550	2.905	23	111.5731	7.734	137
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	111.9365	0.827	2	111.9365	0.683	2	111.9365	0.683	2	112.6686	3.132	5	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	112.6686	3.132	5	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	111.9010	0.772	2	111.9010	0.596	2	111.9010	0.596	2	112.6686	3.132	5	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	111.4583	0.527	3	111.4583	0.277	3	112.1998	1.173	5	111.5974	3.438	8	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.3120	0.117	2	113.3120	0.014	2	112.1998	1.173	5	111.5974	3.438	8	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	109.1170	0.000	1	110.5933	7.268	3	110.5933	7.268	3	111.5974	3.438	8	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	111.3315	3.357	2	110.5933	7.268	3	110.5933	7.268	3	111.5974	3.438	8	112.1854	3.537	15	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,5a]	N[5a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:2:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.9085	0.336	2	114.9085	0.113	2	114.9085	0.113	2	114.9085	0.113	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	3:4:3:	3:4:2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.2240	0.000	1	112.8090	0.344	2	112.8090	0.344	2	112.8090	0.344	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	112.3940	0.000	1	112.8090	0.344	2	112.8090	0.344	2	112.8090	0.344	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	111.1135	0.934	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.1135	0.934	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	110.1955	0.098	2	110.1955	0.010	2	110.1955	0.010	2	110.1955	0.010	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.8770	0.000	1	112.8770	0.000	1	112.6060	0.147	2	111.9797	0.629	4	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.3350	0.000	1	112.3350	0.000	1	112.6060	0.147	2	111.9797	0.629	4	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	111.6460	0.000	1	111.3535	0.171	2	111.3535	0.171	2	111.9797	0.629	4	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	111.0610	0.000	1	111.3535	0.171	2	111.3535	0.171	2	111.9797	0.629	4	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:2:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	112.3380	0.000	1	112.3380	0.000	1	111.1560	1.518	3	111.1560	1.518	3	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	110.5650	0.970	2	110.5650	0.941	2	111.1560	1.518	3	111.1560	1.518	3	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:3:4:4:	3:4:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5,6a]	N[5a]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.1030	0.581	2	112.1030	0.338	2	112.1030	0.338	2	112.1030	0.338	2	112.1565	3.543	22	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	114.0230	0.000	1	114.0230	0.000	1	112.5939	2.882	8	112.5939	2.882	8	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	114.2540	0.000	1	112.3897	2.973	7	112.5939	2.882	8	112.5939	2.882	8	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	111.2140	0.000	1	112.3897	2.973	7	112.5939	2.882	8	112.5939	2.882	8	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	111.9022	1.865	4	112.3897	2.973	7	112.5939	2.882	8	112.5939	2.882	8	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	113.6510	0.000	1	112.3897	2.973	7	112.5939	2.882	8	112.5939	2.882	8	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	115.9980	0.000	1	115.9980	0.000	1	115.0460	1.813	2	115.0460	1.813	2	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP2	C[5]	C[5a]	N[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	114.0940	0.000	1	114.0940	0.000	1	115.0460	1.813	2	115.0460	1.813	2	113.0843	3.512	10	112.4017	3.521	48
474	727	813	0:SP3_SP2_SP3	C[5,6]	C[5,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	113.3655	1.990	2	113.3655	1.990	2
474	727	813	0:SP3_SP2_SP3	C[5,6]	C[5,6a]	N[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	113.3655	1.990	2	113.3655	1.990	2
474	727	813	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	N[5,5a]	3:3:2:2:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:N[5]-2:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2{1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	100.6660	0.000	1	100.6660	0.000	1	100.6660	0.000	1	100.6660	0.000	1	100.6660	0.000	1	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,5a]	N[5,5a]	3:3:3:3:	3:4:2:	3:4:3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-4:S[5a]-2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	97.0619	0.000	1	97.0619	0.000	1	97.0619	0.000	1	97.0619	0.000	1	97.7498	0.946	2	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,5a]	N[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	98.4377	0.000	1	98.4377	0.000	1	98.4377	0.000	1	98.4377	0.000	1	97.7498	0.946	2	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a,6]	3:3:4:1:	4:3:3:	3:4:3:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	99.7045	0.000	1	99.7045	0.000	1	99.7045	0.000	1	99.7045	0.000	1	99.7045	0.000	1	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	98.5573	0.000	1	98.8169	0.135	2	98.9306	0.067	6	98.9306	0.067	6	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	99.0765	0.000	1	98.8169	0.135	2	98.9306	0.067	6	98.9306	0.067	6	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	99.0184	0.396	2	99.0184	0.157	2	98.9306	0.067	6	98.9306	0.067	6	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	98.9566	0.022	2	98.9566	0.001	2	98.9306	0.067	6	98.9306	0.067	6	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	99.1001	0.000	1	99.1001	0.000	1	99.1001	0.000	1	98.9520	0.044	2	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a]){1|N<2>,2|H<1>,8|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	98.8039	0.000	1	98.8039	0.000	1	98.8039	0.000	1	98.9520	0.044	2	98.9360	0.054	8	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	N[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	101.0830	0.000	1	101.0830	0.000	1	101.0830	0.000	1	101.0830	0.000	1	101.0830	0.000	1	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	101.2180	0.000	1	101.2180	0.000	1	101.2180	0.000	1	101.2180	0.000	1	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:1:	3:4:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	99.8834	0.360	4	99.8834	0.129	4	99.8834	0.129	4	99.8834	0.129	4	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:3:1:	3:4:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	98.5848	0.000	1	98.5848	0.000	1	98.5848	0.000	1	98.5848	0.000	1	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:3:4:	3:4:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	97.9528	0.504	2	97.9528	0.254	2	97.9528	0.254	2	97.9528	0.254	2	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	97.9228	0.000	1	97.9228	0.000	1	97.9228	0.000	1	97.9228	0.000	1	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	99.9427	0.000	1	99.9427	0.000	1	99.9427	0.000	1	99.9427	0.000	1	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	99.7070	0.000	1	99.7070	0.000	1	99.7758	0.010	3	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	99.8102	0.114	2	99.8102	0.013	2	99.7758	0.010	3	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	99.9845	0.000	1	99.9845	0.000	1	99.9845	0.000	1	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	99.7038	0.065	3	99.7480	0.018	6	99.7480	0.018	6	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	99.9807	0.000	1	99.7480	0.018	6	99.7480	0.018	6	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	99.6979	0.131	2	99.7480	0.018	6	99.7480	0.018	6	99.7800	0.018	10	99.5454	0.705	20	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	101.7280	0.000	1	101.7280	0.000	1	102.2374	0.185	5	102.2374	0.185	5	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	102.1240	0.000	1	102.1240	0.000	1	102.2374	0.185	5	102.2374	0.185	5	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	102.4450	0.411	3	102.4450	0.169	3	102.2374	0.185	5	102.2374	0.185	5	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	B[5,6a]-3:B[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH){1|B<3>,2|C<4>,4|C<3>}	104.6125	0.230	2	104.6125	0.053	2	104.6125	0.053	2	104.6125	0.053	2	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	101.6370	0.000	1	101.6370	0.000	1	101.6370	0.000	1	101.6085	0.002	2	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	101.5800	0.000	1	101.5800	0.000	1	101.5800	0.000	1	101.6085	0.002	2	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	101.6480	0.000	1	101.6480	0.000	1	101.6480	0.000	1	101.6480	0.000	1	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:2:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	100.2660	0.000	1	100.2660	0.000	1	100.2660	0.000	1	100.2840	0.015	3	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:2:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	100.4160	0.000	1	100.2930	0.030	2	100.2930	0.030	2	100.2840	0.015	3	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:3:2:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	100.1700	0.000	1	100.2930	0.030	2	100.2930	0.030	2	100.2840	0.015	3	101.9486	1.900	14	100.1411	2.536	47
474	727	813	5:SP3_SP2_SP2	C[5]	C[5,6a]	N[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	101.1520	0.000	1	101.1520	0.000	1	101.1520	0.000	1	101.1520	0.000	1	101.9486	1.900	14	100.1411	2.536	47
474	727	813	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	N[5a,6,6]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5a,6,6]-3:Br-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br)	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br){2|C<4>,2|O<2>,6|C<3>}	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1
474	727	818	0:SP3_SP2_SP2	C[3x5,6]	C[5,6,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[5,6,6a]-3:C[3x5,6]-4:C[6a,6a]-3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a])	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	125.6160	0.000	1	125.6160	0.000	1	125.6160	0.000	1	125.6160	0.000	1	125.6160	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,5]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5]-4:N[5]-2:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5])	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	114.9603	1.468	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,5]	3:4:3:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,5]-4:N[5]-2:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5])	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,2|F<1>,5|H<1>,6|C<3>}	114.1510	0.000	1	114.3653	0.079	3	114.3653	0.079	3	114.3653	0.079	3	114.9603	1.468	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,5]	3:4:3:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,5]-4:N[5]-2:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5])	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	114.4725	0.298	2	114.3653	0.079	3	114.3653	0.079	3	114.3653	0.079	3	114.9603	1.468	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:2:4:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:N[5]-2:C-4:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.6510	0.000	2	116.6510	0.000	2	116.6510	0.000	2	116.6510	0.000	2	116.6510	0.000	2	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|O<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,8|C<3>}	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	110.4625	1.533	2	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|O<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,8|C<3>}	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	110.4625	1.533	2	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,1|O<2>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5]){1|H<1>,8|C<3>}	114.2435	1.255	2	114.2435	1.575	2	114.2435	1.575	2	114.1175	3.044	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5])	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,1|O<2>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5]){2|O<2>,8|C<3>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	114.1175	3.044	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5])	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<2>,1|O<2>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5]){2|O<2>,8|C<3>}	112.0560	0.000	1	112.0560	0.000	1	112.0560	0.000	1	114.1175	3.044	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir)	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir){1|C<4>,2|H<1>,9|C<3>}	104.5780	0.000	1	104.5780	0.000	1	104.5780	0.000	1	112.8332	32.457	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|O<2>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO){8|C<3>}	114.5450	0.129	2	114.5450	0.017	2	114.5450	0.017	2	112.8332	32.457	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir)	C[5,5,6,6](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[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir){1|C<4>,2|H<1>,9|C<3>}	117.6650	0.000	1	117.6650	0.000	1	117.6650	0.000	1	112.8332	32.457	4	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,2|H<1>,8|C<3>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.8145	12.623	11	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6a]	C[5,6,6]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6a]	C[5,6]	3:4:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5a,6]	C[5,6]	3:3:3:4:	4:3:3:	4:3:1:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6]-4:N[5,6,6]-3:O-1:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	114.9190	0.000	1	114.9190	0.000	1	114.9190	0.000	1	114.9190	0.000	1	114.9190	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,5,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	116.1830	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	116.2133	2.993	3	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	117.1945	0.459	2	117.1945	0.211	2	117.1945	0.211	2	116.2133	2.993	3	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:3:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	114.0660	0.000	1	114.0660	0.000	1	114.0660	0.000	1	114.0660	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:4:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	115.8337	5.539	9	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	3:4:2:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	110.5983	14.437	3	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	110.5983	14.437	3	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	110.5983	14.437	3	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5,6]	C[5a]	C[5,6]	4:3:2:3:	4:3:2:	4:3:1:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5a]-3:O[5a]-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5])	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5]){1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	112.5615	0.067	2	112.5615	0.005	2	112.5615	0.005	2	112.5615	0.005	2	112.2790	3.030	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	112.2790	3.030	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	112.2790	3.030	4	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	113.8145	3.024	2	113.8145	9.146	2	113.8145	9.146	2	113.8145	9.146	2	113.8145	9.146	2	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	115.9325	5.352	2	114.4320	12.605	4	114.4320	12.605	4	114.4320	12.605	4	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	112.6450	0.000	1	114.4320	12.605	4	114.4320	12.605	4	114.4320	12.605	4	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	113.2180	0.000	1	114.4320	12.605	4	114.4320	12.605	4	114.4320	12.605	4	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){5|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	113.0955	2.966	2	113.0955	8.799	2	113.0955	8.799	2	113.0955	8.799	2	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	117.4530	2.230	2	117.4530	4.974	2	117.4530	4.974	2	114.8158	6.552	6	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	113.4973	1.519	4	113.4973	2.308	4	113.4973	2.308	4	114.8158	6.552	6	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:4:3:1:	4:3:3:	4:3:2:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	103.8860	0.000	1	103.8860	0.000	1	103.8860	0.000	1	103.8860	0.000	1	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	113.3641	13.698	15	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	121.8310	0.000	1	121.8310	0.000	1	121.8310	0.000	1	121.8310	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	116.1310	0.475	2	116.1310	0.226	2	116.1310	0.226	2	116.1310	0.226	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:2:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH){1|N<3>,2|C<3>,2|O<1>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	115.3483	0.718	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	114.6420	0.338	2	115.0637	0.591	3	115.0637	0.591	3	115.3483	0.718	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	115.9070	0.000	1	115.0637	0.591	3	115.0637	0.591	3	115.3483	0.718	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	117.9290	0.000	1	117.9290	0.000	1	117.6658	2.081	5	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|O<1>}	119.0320	0.000	1	117.1360	7.190	2	117.6658	2.081	5	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.2400	0.000	1	117.1360	7.190	2	117.6658	2.081	5	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO){1|N<3>,2|C<3>,2|O<1>}	118.0640	0.434	2	118.0640	0.188	2	117.6658	2.081	5	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	116.8270	0.000	1	116.8270	0.000	1	116.8270	0.000	1	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	118.3310	0.000	1	117.9570	0.280	2	117.9570	0.280	2	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	117.5830	0.000	1	117.9570	0.280	2	117.9570	0.280	2	117.6337	1.353	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	116.6666	16.132	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.6666	16.132	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O){2|C<4>,3|C<3>}	114.9750	0.000	1	114.9750	0.000	1	114.9750	0.000	1	116.6666	16.132	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	116.6666	16.132	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O){4|C<3>}	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	116.6666	16.132	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5]){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	115.7790	0.675	2	115.7790	0.455	2	115.7790	0.455	2	120.0838	18.549	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	120.0838	18.549	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO){5|C<3>}	123.1570	0.000	1	123.1570	0.000	1	121.7845	3.768	2	120.0838	18.549	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO){5|C<3>}	120.4120	0.000	1	120.4120	0.000	1	121.7845	3.768	2	120.0838	18.549	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5]){2|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H){8|C<3>}	115.8325	0.489	2	115.8325	0.239	2	115.8325	0.239	2	115.8325	0.239	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	113.6840	0.000	1	113.6840	0.000	1	113.4789	11.848	7	113.4789	11.848	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	114.1918	3.684	5	114.1918	13.573	5	113.4789	11.848	7	113.4789	11.848	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	109.7090	0.000	1	109.7090	0.000	1	113.4789	11.848	7	113.4789	11.848	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I){1|I<1>,5|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:2:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN){1|N<3>,1|O<1>,3|C<3>}	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	118.9540	2.068	2	118.9540	4.275	2	118.9540	4.275	2	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,6|C<3>}	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	111.3260	0.000	1	111.3260	0.000	1	111.0887	0.080	3	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.7750	0.000	1	110.7750	0.000	1	111.0887	0.080	3	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	111.1650	0.000	1	111.1650	0.000	1	111.0887	0.080	3	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Ga<3>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H){1|Ga<3>,1|N<2>,4|C<3>}	112.9250	0.229	2	112.9250	0.052	2	112.9250	0.052	2	112.8079	20.462	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	115.7770	0.000	1	115.7770	0.000	1	114.9153	0.930	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.0950	0.000	1	115.0950	0.000	1	114.9153	0.930	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO){1|I<1>,4|C<3>}	113.8740	0.000	1	113.8740	0.000	1	114.9153	0.930	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|C<4>,1|O<1>,4|C<3>}	109.5320	0.701	2	109.5320	0.492	2	109.5320	0.492	2	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	117.6920	0.000	1	117.6920	0.000	1	116.3330	1.348	5	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	117.4750	0.000	1	115.9933	1.028	4	116.3330	1.348	5	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	115.4993	0.280	3	115.9933	1.028	4	116.3330	1.348	5	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|N<3>,1|O<1>,5|C<3>}	107.5590	0.000	1	107.5590	0.000	1	113.5137	29.309	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.1390	0.000	1	118.1390	0.000	1	113.5137	29.309	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|O<1>,3|C<3>}	114.8430	0.000	1	114.8430	0.000	1	113.5137	29.309	3	114.2707	10.442	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O){1|H<1>,2|N<2>,3|C<3>,3|C<4>}	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O){1|H<1>,5|C<3>}	109.5110	0.569	2	109.5110	0.323	2	109.5110	0.323	2	109.5110	0.323	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	111.3435	0.363	2	111.3435	0.132	2	111.3435	0.132	2	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I){1|N<3>,5|C<3>}	114.4210	0.824	4	114.4210	0.679	4	114.4210	0.679	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	110.8400	0.082	2	110.8400	0.007	2	110.8400	0.007	2	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O){1|C<4>,7|C<3>}	111.1395	0.086	2	111.1395	0.007	2	111.1395	0.007	2	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	115.9210	0.000	1	115.1060	15.343	4	115.1060	15.343	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	114.8343	4.751	3	115.1060	15.343	4	115.1060	15.343	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.5940	0.000	1	110.5940	0.000	1	112.1130	9.066	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	114.5000	1.703	2	112.6193	12.060	3	112.1130	9.066	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	108.8580	0.000	1	112.6193	12.060	3	112.1130	9.066	4	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H){1|H<1>,7|C<3>}	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|H<1>,7|C<3>}	115.6245	0.906	2	115.6245	0.820	2	114.0847	7.524	3	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|C<4>,1|S<4>,6|C<3>}	111.0050	0.000	1	111.0050	0.000	1	114.0847	7.524	3	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	112.3841	9.319	25	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	115.5900	0.000	1	115.5900	0.000	1	115.5900	0.000	1	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	109.0500	0.000	1	109.0500	0.000	1	111.5603	9.189	3	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	112.8155	2.988	2	112.8155	8.925	2	111.5603	9.189	3	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	114.5200	0.000	1	114.8177	0.118	3	114.6090	0.237	5	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	114.7400	0.000	1	114.8177	0.118	3	114.6090	0.237	5	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.1930	0.000	1	114.8177	0.118	3	114.6090	0.237	5	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	114.2960	0.621	2	114.2960	0.385	2	114.6090	0.237	5	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO){1|S<4>,2|H<1>,4|C<3>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	113.4452	5.188	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:4:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	125.0710	0.000	1	125.0710	0.000	1	125.0210	0.005	2	125.0210	0.005	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	124.9710	0.000	1	124.9710	0.000	1	125.0210	0.005	2	125.0210	0.005	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	127.8940	0.168	2	127.8940	0.028	2	127.8940	0.028	2	125.3643	19.212	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	125.3643	19.212	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:B[5,5]-3:C[5]-3:Si-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:B-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3)	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3){1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	128.8540	0.000	1	128.8540	0.000	1	128.8540	0.000	1	122.2448	14.434	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	120.0820	0.000	1	120.0820	0.000	1	120.5925	1.044	4	122.2448	14.434	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	120.7627	1.180	3	120.7627	1.393	3	120.5925	1.044	4	122.2448	14.434	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC){1|S<4>,2|C<3>,2|H<1>}	111.4045	1.832	2	111.4045	3.357	2	111.4045	3.357	2	111.4045	3.357	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O){1|S<4>,2|H<1>,4|C<3>}	109.9830	0.799	2	109.9830	0.638	2	109.9830	0.638	2	108.8778	1.952	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	107.3660	0.000	1	107.7725	0.330	2	107.7725	0.330	2	108.8778	1.952	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	108.1790	0.000	1	107.7725	0.330	2	107.7725	0.330	2	108.8778	1.952	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|H<1>,8|C<3>}	115.1805	9.831	2	115.1805	96.647	2	115.1805	96.647	2	113.2439	21.276	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	114.3745	1.580	2	112.9940	4.999	4	112.4692	5.126	5	113.2439	21.276	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	111.6135	2.208	2	112.9940	4.999	4	112.4692	5.126	5	113.2439	21.276	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	110.3700	0.000	1	110.3700	0.000	1	112.4692	5.126	5	113.2439	21.276	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	117.6565	0.455	2	117.6565	0.207	2	116.6403	3.201	3	116.6403	3.201	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	114.6080	0.000	1	114.6080	0.000	1	116.6403	3.201	3	116.6403	3.201	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)2(O){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	111.8893	1.246	4	111.8893	1.554	4	111.8893	1.554	4	111.3620	2.555	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){4|C<3>,4|H<1>}	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	111.3620	2.555	5	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	110.0200	0.000	1	110.0765	0.006	2	110.8407	1.755	3	110.0790	3.491	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	110.1330	0.000	1	110.0765	0.006	2	110.8407	1.755	3	110.0790	3.491	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	112.3690	0.000	1	112.3690	0.000	1	110.8407	1.755	3	110.0790	3.491	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	110.0790	3.491	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	110.1010	0.000	1	110.1010	0.000	1	113.7185	26.173	2	113.7185	26.173	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	117.3360	0.000	1	117.3360	0.000	1	113.7185	26.173	2	113.7185	26.173	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	113.6220	0.000	1	113.6220	0.000	1	113.6220	0.000	1	115.1130	1.678	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[4x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<4>,3|C<3>}	115.8585	0.149	2	115.8585	0.022	2	115.8585	0.022	2	115.1130	1.678	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	99.3530	0.000	1	99.3530	0.000	1	99.3530	0.000	1	104.4935	52.849	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	104.4935	52.849	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	116.6130	1.106	2	116.6130	1.223	2	116.6130	1.223	2	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O){1|H<1>,4|C<3>}	115.2640	0.000	1	115.2640	0.000	1	115.7338	3.702	5	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.1600	0.000	1	115.3090	2.640	2	115.7338	3.702	5	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.4580	0.000	1	115.3090	2.640	2	115.7338	3.702	5	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,2|H<1>}	118.7080	0.000	1	118.7080	0.000	1	115.7338	3.702	5	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	114.0790	0.000	1	114.0790	0.000	1	115.7338	3.702	5	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	114.7810	0.407	2	114.7810	0.166	2	114.7810	0.166	2	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO){4|C<3>}	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	115.9278	2.615	10	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,5]C[5,6a]C[5,5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,5]C[5,6a]C[5,5]H)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[3]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.9800	0.484	2	120.9800	0.234	2	120.9800	0.234	2	119.2123	9.491	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:1:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	119.2123	9.491	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	113.1774	12.075	11	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	109.5270	0.000	1	109.5270	0.000	1	113.5736	15.350	8	113.1774	12.075	11	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.1517	3.846	7	114.1517	14.790	7	113.5736	15.350	8	113.1774	12.075	11	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.6680	0.000	1	113.6680	0.000	1	113.3060	0.262	2	113.1774	12.075	11	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9440	0.000	1	112.9440	0.000	1	113.3060	0.262	2	113.1774	12.075	11	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H){1|C<4>,4|C<3>}	101.4870	0.000	1	101.4870	0.000	1	101.4870	0.000	1	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	109.7210	0.055	2	111.1660	3.611	4	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.4980	0.000	1	111.1660	3.611	4	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.7240	0.000	1	111.1660	3.611	4	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	110.9742	2.185	4	111.0827	3.194	6	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	111.2995	1.230	2	111.0827	3.194	6	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	111.3770	0.000	1	111.3770	0.000	1	111.1397	2.688	11	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	110.8780	0.000	1	110.8780	0.000	1	111.4394	0.708	7	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<4>,3|C<3>}	110.8890	0.000	1	111.7684	0.554	5	111.4394	0.708	7	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	112.0197	0.786	3	111.7684	0.554	5	111.4394	0.708	7	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	111.8940	0.000	1	111.7684	0.554	5	111.4394	0.708	7	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O){1|H<1>,1|S<2>,5|C<3>}	110.3560	0.000	1	110.3560	0.000	1	111.4394	0.708	7	110.7421	6.774	19	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN){1|C<4>,2|H<1>,3|C<3>}	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	110.8710	0.000	2	110.8710	0.000	2	110.8710	0.000	2	110.8710	0.000	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	115.5060	0.000	2	115.5060	0.000	2	115.5060	0.000	2	115.5060	0.000	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|C<4>,2|H<1>,6|C<3>}	105.1230	0.000	1	105.1230	0.000	1	105.1085	0.000	2	105.1085	0.000	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	105.0940	0.000	1	105.0940	0.000	1	105.1085	0.000	2	105.1085	0.000	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	113.0610	0.000	1	113.3135	0.128	2	111.9699	5.210	8	111.9699	5.210	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	113.5660	0.000	1	113.3135	0.128	2	111.9699	5.210	8	111.9699	5.210	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.5220	2.511	6	111.5220	6.306	6	111.9699	5.210	8	111.9699	5.210	8	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:O-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.9860	0.083	2	113.9860	0.007	2	113.9860	0.007	2	113.3747	1.125	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:S-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5])(SC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5])(SC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	113.3747	1.125	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.1390	0.000	1	111.1390	0.000	1	113.2420	3.859	3	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	114.2935	1.042	2	114.2935	1.085	2	113.2420	3.859	3	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.1115	0.054	2	108.1115	0.003	2	108.1115	0.003	2	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	115.6890	0.000	1	112.6597	7.111	3	113.0200	5.260	4	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	111.1450	0.676	2	112.6597	7.111	3	113.0200	5.260	4	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.1010	0.000	1	114.1010	0.000	1	113.0200	5.260	4	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	112.7260	0.000	1	112.7260	0.000	1	113.8115	2.357	2	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	114.8970	0.000	1	114.8970	0.000	1	113.8115	2.357	2	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<4>,2|F<1>,3|C<3>}	111.2570	0.000	1	111.2570	0.000	1	111.7454	2.601	9	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>,3|H<1>}	109.5460	0.000	1	112.2260	3.052	5	111.7454	2.601	9	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.8960	1.038	4	112.2260	3.052	5	111.7454	2.601	9	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	111.8670	1.590	2	111.8670	2.527	2	111.7454	2.601	9	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.5880	0.000	1	109.5880	0.000	1	111.7454	2.601	9	112.2422	5.275	21	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	117.1370	0.139	2	117.1370	0.019	2	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.9560	0.000	1	112.9560	0.000	1	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.9530	0.000	1	112.9530	0.000	1	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	110.7605	1.867	2	110.7605	3.487	2	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	116.1810	0.000	1	114.6400	4.749	2	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	113.0990	0.000	1	114.6400	4.749	2	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	112.3820	0.000	1	112.3820	0.000	1	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	115.3360	2.123	4	115.3360	4.506	4	114.2085	6.220	13	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	114.0266	6.204	14	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	119.3980	0.000	1	115.4725	30.819	2	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.5470	0.000	1	115.4725	30.819	2	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	116.8950	0.000	1	116.8950	0.000	1	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	113.6540	0.000	1	113.6540	0.000	1	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	115.1870	0.303	2	114.9983	0.153	3	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.6210	0.000	1	114.9983	0.153	3	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.2770	0.000	1	113.2770	0.000	1	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	116.8310	0.000	1	116.8310	0.000	1	115.1774	5.376	9	115.1774	5.376	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	114.8790	0.298	2	114.8790	0.089	2	114.8790	0.089	2	114.8790	0.089	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:4:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H){1|C<4>,1|H<1>,3|C<3>}	102.6050	0.000	1	102.6050	0.000	1	102.6050	0.000	1	109.5465	62.796	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	109.5465	62.796	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,6|C<3>}	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	109.5465	62.796	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|C<4>,1|O<2>,5|C<3>}	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	109.5465	62.796	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	120.0290	0.000	1	120.0290	0.000	1	118.2935	6.024	2	118.2935	6.024	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.5580	0.000	1	116.5580	0.000	1	118.2935	6.024	2	118.2935	6.024	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|C<4>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	118.2765	0.541	2	117.1470	3.974	3	118.2080	13.992	6	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	114.8880	0.000	1	117.1470	3.974	3	118.2080	13.992	6	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	122.3720	0.000	1	122.3720	0.000	1	118.2080	13.992	6	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	122.2350	0.000	1	122.2350	0.000	1	118.2080	13.992	6	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	113.2000	0.000	1	113.2000	0.000	1	118.2080	13.992	6	117.2291	18.367	7	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]HH)(O){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|N<3>,2|H<1>,5|C<3>}	109.9820	0.000	1	109.9605	0.001	2	109.9605	0.001	2	109.9605	0.001	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.9390	0.000	1	109.9605	0.001	2	109.9605	0.001	2	109.9605	0.001	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,3|H<1>,5|C<3>}	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	107.9360	0.000	1	107.9360	0.000	1	108.4300	0.231	3	110.3683	5.700	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	108.6770	0.311	2	108.6770	0.097	2	108.4300	0.231	3	110.3683	5.700	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	110.3683	5.700	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|O<2>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	110.3683	5.700	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	112.3233	1.338	4	112.3233	1.791	4	112.3233	1.791	4	110.3683	5.700	9	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN){1|H<1>,1|N<3>,2|C<3>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2){1|H<1>,2|C<4>,3|C<3>}	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:3:4:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,8|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,6|H<1>}	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,6|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:1:	3:4:3:	4:2:1:	C[3x5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(O[5]C[5])(O)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(O[5]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O)	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	111.0910	15.689	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O){1|N<3>,2|C<3>,2|C<4>}	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	111.0910	15.689	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O){1|O<2>,4|C<3>}	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	111.0910	15.689	3	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O){1|O<2>,4|C<3>}	114.2190	0.000	2	114.2190	0.000	2	114.2190	0.000	2	114.2190	0.000	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:2:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:C-3:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,7|C<3>}	114.2620	2.018	2	114.2620	4.073	2	114.2620	4.073	2	111.5307	11.499	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|O<2>,6|C<3>}	108.7995	0.766	2	108.7995	0.586	2	108.7995	0.586	2	111.5307	11.499	4	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	119.6070	0.000	1	119.6070	0.000	1	119.1220	0.470	2	119.1220	0.470	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	118.6370	0.000	1	118.6370	0.000	1	119.1220	0.470	2	119.1220	0.470	2	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|O<1>,3|C<3>,3|N<3>}	112.7350	1.650	2	112.7350	2.724	2	112.7350	2.724	2	113.1380	7.397	6	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO){1|C<4>,6|C<3>}	110.8230	0.000	1	114.5410	27.647	2	114.5410	27.647	2	113.1380	7.397	6	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO){1|C<4>,6|C<3>}	118.2590	0.000	1	114.5410	27.647	2	114.5410	27.647	2	113.1380	7.397	6	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.1380	0.595	2	112.1380	0.354	2	112.1380	0.354	2	113.1380	7.397	6	113.7196	17.937	309	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	110.2190	0.000	1	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	110.6765	0.101	2	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	110.1148	0.491	4	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	110.2901	0.193	7	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.1406	3.881	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Au)(CCC)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Au)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	112.9200	0.000	1	112.9200	0.000	1	113.0734	4.485	7	113.0734	4.485	7	113.1406	3.881	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Pd)(CCC)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Pd)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	114.2952	1.796	4	114.2952	3.224	4	113.0734	4.485	7	113.0734	4.485	7	113.1406	3.881	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5]	3:3:4:3:	4:3:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]S)(CCC)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]S)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	110.7065	0.202	2	110.7065	0.041	2	113.0734	4.485	7	113.0734	4.485	7	113.1406	3.881	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2)	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	112.4296	0.110	7	112.4296	0.012	7	112.4296	0.012	7	112.4296	0.012	7	112.4289	0.010	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[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[5,6,6]C[5,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2	C[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[5,6,6]C[5,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4289	0.010	8	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	116.6100	0.646	2	116.6100	0.418	2	116.6100	0.418	2	116.6100	0.418	2	116.6100	0.418	2	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	4:4:3:3:	4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C[5]-3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5])	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	112.7426	0.382	7	112.7426	0.146	7	112.7426	0.146	7	112.7426	0.146	7	112.7426	0.146	7	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6,6]	C[5a,6]	C[5,6]	3:3:2:4:	4:3:3:	4:3:4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5a,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5a,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6]){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	122.1510	0.000	1	122.1510	0.000	1	123.2665	2.489	2	123.2665	2.489	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	124.3820	0.000	1	124.3820	0.000	1	123.2665	2.489	2	123.2665	2.489	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a]C[5,6a,6a]C[5]){1|C<4>,2|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	116.7830	0.000	1	116.7830	0.000	1	116.7515	0.002	2	116.7515	0.002	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	116.7200	0.000	1	116.7200	0.000	1	116.7515	0.002	2	116.7515	0.002	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){2|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	116.8323	31.031	6	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	122.7590	0.000	1	122.7590	0.000	1	117.8434	31.122	5	116.8323	31.031	6	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	118.4330	0.000	1	118.4330	0.000	1	117.8434	31.122	5	116.8323	31.031	6	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){2|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	112.1390	0.209	2	112.1390	0.044	2	117.8434	31.122	5	116.8323	31.031	6	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	123.7470	0.000	1	123.7470	0.000	1	117.8434	31.122	5	116.8323	31.031	6	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	113.6467	8.510	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	111.1535	0.459	2	111.1535	0.211	2	111.1535	0.211	2	113.6467	8.510	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	116.6170	0.000	1	116.6170	0.000	1	116.6170	0.000	1	113.6467	8.510	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	111.1740	7.207	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	111.1740	7.207	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	109.3785	1.027	2	109.3785	1.056	2	109.3785	1.056	2	111.1740	7.207	4	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	109.9900	0.000	1	109.6530	0.227	2	109.6530	0.227	2	109.6530	0.227	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	109.3160	0.000	1	109.6530	0.227	2	109.6530	0.227	2	109.6530	0.227	2	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:4:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	114.9401	23.933	23	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	3:4:3:	4:2:4:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	110.5370	0.184	2	110.5370	0.034	2	110.5370	0.034	2	113.5598	6.893	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a])	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a]){3|O<1>,7|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	115.1860	0.706	2	115.1860	0.498	2	115.1860	0.498	2	113.5598	6.893	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	113.1580	0.000	1	113.1580	0.000	1	113.1580	0.000	1	113.5598	6.893	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	113.5598	6.893	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:2:	4:3:4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.4250	0.000	1	112.0630	0.444	3	110.8153	1.836	8	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	112.3820	0.526	2	112.0630	0.444	3	110.8153	1.836	8	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	109.5830	1.152	3	110.0666	1.122	5	110.8153	1.836	8	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	110.7920	0.286	2	110.0666	1.122	5	110.8153	1.836	8	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	108.6195	0.398	2	108.6195	0.158	2	109.1735	0.308	6	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	109.5150	0.020	2	109.5150	0.000	2	109.1735	0.308	6	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	109.3860	0.668	2	109.3860	0.446	2	109.1735	0.308	6	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a])	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	114.5105	1.217	4	114.5105	1.480	4	114.5105	1.480	4	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	112.8570	1.943	2	112.8570	3.776	2	112.8570	3.776	2	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O){2|C<2>,4|C<3>}	111.6360	0.000	1	111.6360	0.000	1	111.6360	0.000	1	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|N<3>,1|O<1>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	111.1830	0.615	2	111.1830	0.378	2	111.1830	0.378	2	111.0264	4.661	26	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:S[5]-2:O-1:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(S[5]C[5])(O)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(S[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	110.0895	0.319	4	110.0895	0.101	4	110.0895	0.101	4	110.0895	0.101	4	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,3|C<3>}	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:4:	3:4:3:	4:3:4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a])	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	113.3620	0.000	1	113.3620	0.000	1	112.9002	9.167	5	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.4050	0.000	1	113.2375	34.736	2	112.9002	9.167	5	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.0700	0.000	1	113.2375	34.736	2	112.9002	9.167	5	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.3320	0.919	2	112.3320	0.845	2	112.9002	9.167	5	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.7163	0.769	4	109.7163	0.591	4	109.7163	0.591	4	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	111.3951	6.855	10	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	115.3770	0.000	1	115.3770	0.000	1	115.3770	0.000	1	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.0440	0.000	1	113.0440	0.000	1	113.5420	0.496	2	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.0400	0.000	1	114.0400	0.000	1	113.5420	0.496	2	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	105.0010	0.000	1	105.0010	0.000	1	105.0010	0.000	1	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	110.4215	18.199	6	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:2:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	107.9270	2.172	2	107.9270	4.719	2	107.9270	4.719	2	107.9790	2.367	3	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:2:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:S[5a]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	107.9790	2.367	3	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	113.9046	15.992	5	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.3790	0.000	1	113.1278	17.300	4	113.1278	17.300	4	113.9046	15.992	5	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.2500	5.151	2	113.1278	17.300	4	113.1278	17.300	4	113.9046	15.992	5	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.6320	0.000	1	113.1278	17.300	4	113.1278	17.300	4	113.9046	15.992	5	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	109.9485	0.176	2	109.9485	0.031	2	109.9485	0.031	2	109.9485	0.031	2	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:4:4:3:	4:3:2:	4:3:1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5](C[5,6]C[5a,6]C[5,6]C[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6,6]-4:C[5a,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6,6]C[5a,6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[5a,6]H)(O[5]C[5,6])(O){2|C<3>,2|C<4>,2|H<1>}	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	111.5677	10.748	69	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5,6]	C[5a]	C[5,6]	3:3:3:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5a]-3:C[5,6]-3:C[6]-4:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	115.1375	6.440	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	115.1375	6.440	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a]){1|C<4>,5|C<3>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:4:2:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	111.6930	0.000	1	111.6930	0.000	1	110.2940	3.914	2	110.2940	3.914	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	108.8950	0.000	1	108.8950	0.000	1	110.2940	3.914	2	110.2940	3.914	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:2:4:	4:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:C[5]-4:N[5]-3:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	119.0600	0.000	1	119.0600	0.000	1	116.4570	13.551	2	116.4570	13.551	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.8540	0.000	1	113.8540	0.000	1	116.4570	13.551	2	116.4570	13.551	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2{2|C<4>,3|C<3>,4|H<1>}	120.2205	2.358	2	120.2205	5.561	2	120.2205	5.561	2	120.2205	5.561	2	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:1:	3:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	120.8285	0.190	2	120.3950	0.582	3	120.3950	0.582	3	120.3950	0.582	3	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:1:	3:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	119.5280	0.000	1	120.3950	0.582	3	120.3950	0.582	3	120.3950	0.582	3	114.7507	15.410	22	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:2:1:	4:3:3:	4:4:3:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	114.2170	1.075	2	114.2170	1.155	2	114.2170	1.155	2	114.2170	1.155	2	114.2170	1.155	2	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:1:	4:3:3:	4:3:1:	C[5a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C){2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	116.2960	0.000	1	116.2960	0.000	1	116.2960	0.000	1	116.2960	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:4:	4:3:2:	4:3:1:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:2:4:	4:3:4:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:2:4:	4:4:1:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){4|C<3>}	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	114.2690	6.437	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a])	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	117.0120	0.000	1	117.0120	0.000	1	114.5925	11.708	2	114.2690	6.437	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	112.1730	0.000	1	112.1730	0.000	1	114.5925	11.708	2	114.2690	6.437	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	114.2690	6.437	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a])	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	4:3:2:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:C[6a]-3:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	128.6040	0.000	1	128.6040	0.000	1	128.6040	0.000	1	128.6040	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	116.3320	0.000	1	117.6167	1.950	3	117.6167	1.950	3	117.6167	1.950	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	118.2590	1.194	2	117.6167	1.950	3	117.6167	1.950	3	117.6167	1.950	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	108.6370	0.000	1	110.4223	3.025	4	109.6733	3.194	6	110.3021	5.429	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	111.0173	1.553	3	110.4223	3.025	4	109.6733	3.194	6	110.3021	5.429	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O){6|C<3>}	108.4620	0.000	1	108.4620	0.000	1	109.6733	3.194	6	110.3021	5.429	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	107.8890	0.000	1	107.8890	0.000	1	109.6733	3.194	6	110.3021	5.429	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:S-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	110.3021	5.429	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	110.0810	0.000	1	110.0810	0.000	1	110.4040	0.209	2	110.3297	0.121	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){4|C<3>}	110.7270	0.000	1	110.7270	0.000	1	110.4040	0.209	2	110.3297	0.121	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	110.3297	0.121	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	108.9945	1.334	2	108.9945	1.780	2	108.9945	1.780	2	108.9945	1.780	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:3:4:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N)	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	110.9645	0.316	2	110.9645	0.100	2	110.9645	0.100	2	110.9645	0.100	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){1|O<1>,3|C<3>}	110.2040	0.000	1	110.2040	0.000	1	110.7910	0.689	2	109.5290	2.490	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O){1|O<1>,1|O<2>,4|C<3>}	111.3780	0.000	1	111.3780	0.000	1	110.7910	0.689	2	109.5290	2.490	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N)	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	108.2670	0.641	2	108.2670	0.410	2	108.2670	0.410	2	109.5290	2.490	4	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	114.1180	0.000	1	111.2110	6.776	3	111.2110	6.776	3	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	109.7575	0.936	2	111.2110	6.776	3	111.2110	6.776	3	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|C<4>,1|H<1>,6|C<3>}	116.0540	0.000	1	116.0540	0.000	1	115.5877	0.820	3	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){2|H<1>,6|C<3>}	115.3545	1.146	2	115.3545	1.314	2	115.5877	0.820	3	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|N<3>,2|H<1>,5|C<3>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	107.6810	2.137	8	107.6810	4.567	8	107.6810	4.567	8	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-4:N[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H){2|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.0046	0.647	8	111.0046	0.418	8	111.0046	0.418	8	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|C<4>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){1|H<1>,7|C<3>}	109.0545	5.962	2	109.0545	35.541	2	109.3320	8.404	6	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	109.4707	1.443	4	109.4707	2.083	4	109.3320	8.404	6	110.2861	8.838	29	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	106.1255	0.216	2	106.1255	0.047	2	106.1255	0.047	2	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	110.0335	0.477	2	110.0335	0.228	2	110.0335	0.228	2	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	106.5630	0.000	1	106.5630	0.000	1	108.1663	5.255	3	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O){2|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O){6|C<3>}	108.9680	2.580	2	108.9680	6.654	2	108.1663	5.255	3	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br){1|H<1>,1|N<3>,1|O<1>,1|S<4>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	114.0620	0.000	1	114.0620	0.000	1	110.9010	19.984	2	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	107.7400	0.000	1	107.7400	0.000	1	110.9010	19.984	2	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O){1|H<1>,2|O<1>,4|C<3>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	108.9423	6.885	10	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	109.6330	5.670	2	109.6330	32.144	2	109.6330	32.144	2	109.6330	32.144	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|H<1>,1|S<4>,8|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	109.5827	49.138	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	103.0140	0.000	1	103.0140	0.000	1	103.0140	0.000	1	109.5827	49.138	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a])	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	109.5827	49.138	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH)	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	107.1400	0.000	2	107.1400	0.000	2	107.1400	0.000	2	108.5023	5.568	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	108.5023	5.568	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	113.8010	0.000	1	113.8010	0.000	1	113.8010	0.000	1	113.8010	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	4:3:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:3:4:	4:4:3:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:P[5]-4:C-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:2:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:2:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<2>,3|C<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	112.5430	0.000	1	112.5430	0.000	1	111.8210	1.043	2	111.8210	1.043	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	111.0990	0.000	1	111.0990	0.000	1	111.8210	1.043	2	111.8210	1.043	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.4900	0.410	2	111.4900	0.168	2	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.2940	0.000	1	111.2940	0.000	1	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.3690	0.000	1	110.3690	0.000	1	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.4250	0.000	1	108.4250	0.000	1	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	109.4480	0.376	2	109.4480	0.142	2	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.5290	0.426	2	110.5290	0.181	2	110.3358	1.172	9	110.3358	1.172	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	112.2685	6.871	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	4:3:2:	4:3:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,1|S<1>,3|C<3>}	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	112.2685	6.871	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.3545	2.087	6	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	107.3360	0.760	3	107.3360	0.577	3	108.2280	2.488	5	108.3545	2.087	6	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	109.5660	1.683	2	109.5660	2.832	2	108.2280	2.488	5	108.3545	2.087	6	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O)	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	4:3:2:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:N[5]-3:C-3:	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH)	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O)	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	110.8530	0.993	2	109.6497	3.078	4	110.0152	2.502	6	110.8660	7.152	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	107.3380	0.000	1	109.6497	3.078	4	110.0152	2.502	6	110.8660	7.152	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	109.5550	0.000	1	109.6497	3.078	4	110.0152	2.502	6	110.8660	7.152	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O){2|C<3>,4|H<1>}	110.7460	1.293	2	110.7460	1.671	2	110.0152	2.502	6	110.8660	7.152	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	110.8660	7.152	7	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	113.8110	0.000	1	113.8110	0.000	1	112.5924	4.659	5	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	113.2930	0.000	1	113.2930	0.000	1	112.5924	4.659	5	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	115.1600	0.000	1	115.1600	0.000	1	112.5924	4.659	5	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|O<1>,4|C<3>}	110.3490	0.004	2	110.3490	0.000	2	112.5924	4.659	5	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	111.3720	0.000	2	111.3720	0.000	2	111.3720	0.000	2	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.5000	0.000	1	115.5000	0.000	1	115.5000	0.000	1	112.7377	3.823	9	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C-3:N[5]-2:	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|H<1>,4|C<3>}	108.2145	0.784	2	108.2145	0.615	2	108.2145	0.615	2	108.2145	0.615	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2){2|H<1>,3|C<3>}	112.9580	0.000	1	112.9580	0.000	1	112.7735	0.068	2	113.7209	6.032	8	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	112.5890	0.000	1	112.5890	0.000	1	112.7735	0.068	2	113.7209	6.032	8	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	112.3217	1.029	4	112.3217	1.058	4	112.3217	1.058	4	113.7209	6.032	8	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	117.4665	1.138	2	117.4665	1.294	2	117.4665	1.294	2	113.7209	6.032	8	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.7630	0.472	2	115.7630	0.223	2	115.7630	0.223	2	115.7630	0.223	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:4:2:	4:3:2:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:C[5]-3:C-2:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5]C[5a]C[5]H)(C[5]S[5]N)(CN)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]S[5]N)(CN){1|H<1>,1|S<2>,2|C<3>}	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|S<2>,4|H<1>}	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:2:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>,4|H<1>}	108.9390	0.037	2	108.9390	0.001	2	107.8630	3.474	3	107.8630	3.474	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:2:4:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>,4|H<1>}	105.7110	0.000	1	105.7110	0.000	1	107.8630	3.474	3	107.8630	3.474	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:N[5,5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	111.8160	3.434	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|C<3>,3|H<1>}	110.9380	0.000	1	110.7515	0.070	2	110.7515	0.070	2	111.8160	3.434	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|H<1>,4|C<3>}	110.5650	0.000	1	110.7515	0.070	2	110.7515	0.070	2	111.8160	3.434	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O){4|C<3>,4|H<1>}	107.9960	0.000	1	107.9960	0.000	1	110.8940	16.797	2	112.3718	6.446	5	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	113.7920	0.000	1	113.7920	0.000	1	110.8940	16.797	2	112.3718	6.446	5	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	113.8245	0.630	2	113.8245	0.397	2	113.3570	0.854	3	112.3718	6.446	5	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:3:4:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	112.4220	0.000	1	112.4220	0.000	1	113.3570	0.854	3	112.3718	6.446	5	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:4:2:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){1|O<2>,2|H<1>,3|C<3>}	109.3500	0.000	1	109.2300	0.029	2	109.2300	0.029	2	109.2300	0.029	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:4:	3:4:2:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){1|O<2>,2|H<1>,3|C<3>}	109.1100	0.000	1	109.2300	0.029	2	109.2300	0.029	2	109.2300	0.029	2	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:1:	3:3:4:	3:4:4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.6123	1.691	3	114.6123	2.859	3	114.6123	2.859	3	114.6123	2.859	3	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:1:	3:4:2:	4:3:1:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:N[5]-3:S-1:	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|C<4>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S){1|H<1>,1|O<2>,4|C<3>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,6]S)(O){2|C<3>,2|C<4>,2|H<1>}	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	0:SP3_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:1:	4:3:3:	4:4:1:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O){2|C<3>,3|C<4>}	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	111.1399	11.328	162	112.9177	16.159	680
474	727	818	5:SP3_SP2_SP2	C[3x5,6]	C[5,6,6a]	C[3x5]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[5,6,6a]-3:C[3x5,6]-4:C[6a,6a]-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a])	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	99.3716	0.000	1	99.3716	0.000	1	99.3716	0.000	1	99.3716	0.000	1	99.3716	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6,6a]C[5,3x6])	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6,6a]C[5,3x6]){2|H<1>,3|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	97.3859	0.000	1	97.3859	0.000	1	97.3859	0.000	1	97.3859	0.000	1	97.5724	0.070	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6]	3:4:3:4:	4:3:3:	4:4:3:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,3x6])	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,3x6]){2|H<1>,3|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	97.7589	0.000	1	97.7589	0.000	1	97.7589	0.000	1	97.7589	0.000	1	97.5724	0.070	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	102.7440	0.000	1	102.7440	0.000	1	102.7440	0.000	1	102.7440	0.000	1	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	3:3:4:3:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a])	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a]){2|C<4>,2|H<1>,3|C<3>}	100.1590	0.000	1	100.1590	0.000	1	100.1590	0.000	1	100.1590	0.000	1	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[3x6]-4:N[5]-2:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a])	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a]){2|C<3>,2|C<4>,8|H<1>}	99.7322	0.277	2	99.7322	0.077	2	99.7322	0.077	2	99.7322	0.077	2	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	3:4:3:3:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	4:3:4:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	103.0623	0.109	4	103.0468	0.010	5	103.0468	0.010	5	103.0468	0.010	5	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	4:3:4:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	102.9850	0.000	1	103.0468	0.010	5	103.0468	0.010	5	103.0468	0.010	5	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6,6]	4:4:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	102.9150	0.000	1	102.9150	0.000	1	102.9150	0.000	1	102.9150	0.000	1	103.1480	8.510	12	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:4:2:	C[4x6]-4:C[5,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH)	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	99.1348	0.000	1	99.1348	0.000	1	99.1348	0.000	1	99.1348	0.000	1	99.1348	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,3x6]	C[5,6,6a]	C[5,6,6]	4:3:4:3:	4:3:3:	4:4:3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,6,6]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){5|C<4>,8|C<3>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,6|C<4>}	99.5268	0.000	1	99.5268	0.000	1	99.5268	0.000	1	99.5268	0.000	1	99.5268	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,3x6]	C[5,6a]	C[5,6,6]	3:4:4:3:	4:3:3:	4:4:2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[5,6,6]-4:N[5]-2:	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a])	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[3x6]S[5]2)(N[5]C[5,6a]){1|N<3>,2|H<1>,3|C<3>,5|C<4>}	100.3910	0.000	1	100.3910	0.000	1	100.3910	0.000	1	100.3910	0.000	1	100.3910	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6]	3:4:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6]){2|C<4>,9|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	101.9860	0.000	1	101.9860	0.000	1	101.9860	0.000	1	101.9860	0.000	1	101.9860	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[3x5]	3:3:4:1:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	98.8484	0.000	1	98.8484	0.000	1	98.8484	0.000	1	98.8484	0.000	1	98.8484	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5,6]	3:4:3:1:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,1|C<4>,6|C<3>}	98.4049	0.000	1	98.4049	0.000	1	98.4049	0.000	1	98.4049	0.000	1	98.4049	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:1:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O){4|C<3>}	96.2078	0.270	2	96.2078	0.073	2	96.1699	0.027	4	96.1699	0.027	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:1:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(O){4|C<3>}	96.1320	0.047	2	96.1320	0.002	2	96.1699	0.027	4	96.1699	0.027	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC){4|C<3>}	98.2537	0.338	2	98.2537	0.114	2	97.7141	0.627	4	97.7141	0.627	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(CCC){4|C<3>}	97.1745	0.775	2	97.1745	0.601	2	97.7141	0.627	4	97.7141	0.627	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,9|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O){8|C<3>}	94.9215	0.243	2	94.9215	0.059	2	94.9215	0.059	2	95.4201	0.352	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2C[6a])2(O){8|C<3>}	95.9187	0.057	2	95.9187	0.003	2	95.9187	0.003	2	95.4201	0.352	4	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,6|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	92.1346	0.000	1	92.1346	0.000	1	92.8393	0.993	2	92.8393	0.993	2	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	93.5441	0.000	1	93.5441	0.000	1	92.8393	0.993	2	92.8393	0.993	2	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:3:4:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O){2|H<1>,8|C<3>}	96.6843	0.000	1	96.6843	0.000	1	96.6843	0.000	1	96.6843	0.000	1	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	97.8949	0.000	1	97.8949	0.000	1	97.8949	0.000	1	99.3157	0.322	9	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2(CCC){2|H<1>,4|C<3>}	99.4933	0.208	8	99.4933	0.043	8	99.4933	0.043	8	99.3157	0.322	9	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O){2|H<1>,8|C<3>}	95.4478	0.599	8	95.4478	0.358	8	95.4490	0.356	37	95.4584	0.355	39	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2(O){2|H<1>,8|C<3>}	95.4493	0.606	29	95.4493	0.368	29	95.4490	0.356	37	95.4584	0.355	39	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2(O){2|H<1>,8|C<3>}	95.0699	0.000	1	95.0699	0.000	1	95.0699	0.000	1	95.4584	0.355	39	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:3:	4:3:3:	4:4:1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2(O){2|H<1>,8|C<3>}	96.1931	0.000	1	96.1931	0.000	1	96.1931	0.000	1	95.4584	0.355	39	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O){2|C<4>,4|C<3>}	95.0776	0.978	2	95.0776	0.957	2	95.0776	0.957	2	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	96.5367	0.000	1	96.5367	0.000	1	96.5367	0.000	1	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	96.6834	0.000	1	96.6834	0.000	1	95.5663	0.782	11	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	95.8144	0.652	6	95.7814	0.310	8	95.5663	0.782	11	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	95.6824	0.128	2	95.7814	0.310	8	95.5663	0.782	11	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	3:4:3:4:	3:4:3:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	94.1476	0.105	2	94.1476	0.011	2	95.5663	0.782	11	95.5658	0.784	14	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5]	4:3:3:1:	4:3:3:	4:4:3:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	97.2608	0.000	1	97.2608	0.000	1	97.2608	0.000	1	97.2608	0.000	1	96.0446	2.317	78	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5]	3:4:2:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	101.9475	0.228	2	101.9475	0.052	2	101.9475	0.052	2	101.9475	0.052	2	100.5311	1.822	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5]	3:4:3:3:	4:3:3:	4:2:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6]-4:N[5]-2:C-4:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3){2|C<4>,2|H<1>,3|C<3>}	99.1512	0.000	1	99.1512	0.000	1	99.1512	0.000	1	99.1512	0.000	1	100.5311	1.822	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5]	3:4:4:3:	4:3:3:	4:2:1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(O[5]C[5,6a])(O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(O[5]C[5,6a])(O){2|H<1>,3|C<3>,3|C<4>}	99.8047	0.512	2	99.8047	0.263	2	99.8047	0.263	2	99.8047	0.263	2	100.5311	1.822	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,5,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	101.3110	0.000	1	101.3110	0.000	1	101.3110	0.000	1	101.3110	0.000	1	99.8645	4.185	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,5,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	98.4179	0.000	1	98.4179	0.000	1	98.4179	0.000	1	98.4179	0.000	1	99.8645	4.185	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,5]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	102.1030	0.000	1	102.1030	0.000	1	102.1030	0.000	1	102.1030	0.000	1	102.1030	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	100.0740	0.000	1	100.0740	0.000	1	100.0740	0.000	1	100.0740	0.000	1	100.0740	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	103.7030	0.000	1	103.7030	0.000	1	103.7030	0.000	1	103.7030	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	103.2550	0.000	1	103.2550	0.000	1	103.2550	0.000	1	103.2550	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:N[6]-2:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6]){1|H<1>,2|C<4>,5|C<3>}	101.7870	0.000	1	101.7870	0.000	1	101.7870	0.000	1	101.7870	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	100.0680	0.000	1	100.0680	0.000	1	100.8220	1.137	2	100.8220	1.137	2	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	101.5760	0.000	1	101.5760	0.000	1	100.8220	1.137	2	100.8220	1.137	2	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[3x6]-4:N[5]-2:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	100.8700	0.000	1	100.8700	0.000	1	100.8700	0.000	1	100.8700	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:2:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	100.5660	0.000	1	100.5660	0.000	1	100.5660	0.000	1	100.5660	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6]-3:N[5]-2:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a])	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a]){2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	99.3632	0.000	1	99.3632	0.000	1	99.3632	0.000	1	99.3632	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	99.6203	0.000	1	99.6203	0.000	1	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	101.8390	0.000	1	101.8390	0.000	1	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	101.2517	0.609	3	101.2517	0.371	3	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	100.7523	0.281	3	100.7523	0.079	3	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	100.6730	0.000	1	100.9637	0.626	7	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	100.5924	1.391	2	100.9637	0.626	7	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	100.3060	0.000	1	100.9637	0.626	7	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	101.5273	0.192	3	100.9637	0.626	7	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	101.1673	0.518	3	101.1808	0.180	4	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	101.2210	0.000	1	101.1808	0.180	4	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	99.3900	0.000	1	99.3900	0.000	1	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	101.0460	0.000	1	101.0460	0.000	1	100.9227	0.539	21	100.9227	0.539	21	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6]	4:3:3:4:	4:3:3:	4:4:2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a])	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	99.0836	0.000	1	99.0836	0.000	1	99.0836	0.000	1	99.0836	0.000	1	100.9883	1.092	30	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:2:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-2:N-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a])(NHH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a])(NHH){2|C<3>,3|C<4>,3|H<1>}	98.5996	0.000	1	98.5996	0.000	1	98.5996	0.000	1	98.5996	0.000	1	101.4299	2.698	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	101.9870	0.000	1	101.9870	0.000	1	102.1375	0.260	4	102.1375	0.260	4	101.4299	2.698	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	101.9020	0.000	1	101.9020	0.000	1	102.1375	0.260	4	102.1375	0.260	4	101.4299	2.698	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.7710	0.000	1	101.7710	0.000	1	102.1375	0.260	4	102.1375	0.260	4	101.4299	2.698	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	102.8900	0.000	1	102.8900	0.000	1	102.1375	0.260	4	102.1375	0.260	4	101.4299	2.698	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	100.1430	0.086	2	100.1430	0.007	2	100.1430	0.007	2	100.1430	0.007	2	100.1430	0.007	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5]	3:3:4:1:	4:3:3:	4:4:3:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C){1|C<2>,2|H<1>,3|C<3>}	101.7410	0.129	3	101.7410	0.017	3	101.7410	0.017	3	101.7410	0.017	3	101.7410	0.017	3	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	98.5842	0.000	1	98.5842	0.000	1	98.5842	0.000	1	99.1699	0.317	3	99.8920	2.297	4	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I){1|N<3>,3|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5]){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I){1|N<3>,5|C<3>}	99.4628	0.346	2	99.4628	0.120	2	99.4628	0.120	2	99.1699	0.317	3	99.8920	2.297	4	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:4:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	102.0580	0.000	1	102.0580	0.000	1	102.0580	0.000	1	102.0580	0.000	1	99.8920	2.297	4	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	107.1960	10.143	2	107.1960	102.875	2	104.1628	46.622	4	104.1628	46.622	4	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	101.1295	0.433	2	101.1295	0.188	2	104.1628	46.622	4	104.1628	46.622	4	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	101.2280	0.000	1	101.2280	0.000	1	101.4000	0.059	2	101.4000	0.059	2	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	101.5720	0.000	1	101.5720	0.000	1	101.4000	0.059	2	101.4000	0.059	2	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	101.7840	0.000	1	101.7840	0.000	1	101.7840	0.000	1	101.7840	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:1:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:S[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	101.4660	0.000	1	101.4660	0.000	1	101.4660	0.000	1	101.4660	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H){1|Li<3>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C){1|Li<3>,4|C<3>}	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:4:3:1:	4:3:3:	4:3:4:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	103.0710	1.474	4	103.0710	2.173	4	103.0710	2.173	4	103.0710	2.173	4	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	100.3280	0.000	1	100.3280	0.000	1	100.3280	0.000	1	100.3280	0.000	1	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	4:3:3:4:	4:3:3:	4:2:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:N[5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a])(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a])(N[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	97.5410	0.348	2	97.5410	0.121	2	97.5410	0.121	2	97.5410	0.121	2	102.2538	13.546	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	99.2767	0.000	1	100.3294	2.216	2	100.3294	2.216	2	100.3294	2.216	2	100.3932	1.120	3	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	101.3820	0.000	1	100.3294	2.216	2	100.3294	2.216	2	100.3294	2.216	2	100.3932	1.120	3	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	3:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){5|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	100.5210	0.000	1	100.5210	0.000	1	100.5210	0.000	1	100.5210	0.000	1	100.3932	1.120	3	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:2:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:S[5]-2:S[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O){4|C<3>}	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	102.5580	0.000	1	102.3367	0.040	3	101.9032	0.423	6	101.9032	0.423	6	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	102.1690	0.000	1	102.3367	0.040	3	101.9032	0.423	6	101.9032	0.423	6	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	102.2830	0.000	1	102.3367	0.040	3	101.9032	0.423	6	101.9032	0.423	6	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]Pd)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{1|Pd<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]Pd)(O){2|C<3>,2|C<4>}	101.4697	0.674	3	101.4697	0.454	3	101.9032	0.423	6	101.9032	0.423	6	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	102.6740	0.000	1	102.2425	0.372	2	102.1500	0.212	3	102.1500	0.212	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	101.8110	0.000	1	102.2425	0.372	2	102.1500	0.212	3	102.1500	0.212	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	101.9650	0.000	1	101.9650	0.000	1	102.1500	0.212	3	102.1500	0.212	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,3|C<3>}	102.2000	0.000	1	102.2000	0.000	1	102.2000	0.000	1	102.2000	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.9900	0.130	2	101.9900	0.017	2	102.2377	0.192	3	102.2377	0.192	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	102.7330	0.000	1	102.7330	0.000	1	102.2377	0.192	3	102.2377	0.192	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:2:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:S[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	102.1155	0.100	2	102.1155	0.010	2	102.1155	0.010	2	102.1155	0.010	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	101.1790	0.000	1	101.1790	0.000	1	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	102.3120	0.000	1	102.2170	0.018	2	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	102.1220	0.000	1	102.2170	0.018	2	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){5|C<3>}	102.1395	0.305	2	102.1395	0.093	2	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.6630	0.000	1	101.6630	0.000	1	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	103.0180	0.164	2	103.0917	0.030	3	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	103.2390	0.000	1	103.0917	0.030	3	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	102.3720	0.000	1	102.6373	0.205	3	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	102.3800	0.000	1	102.6373	0.205	3	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	103.1600	0.000	1	102.6373	0.205	3	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	103.0260	0.000	1	103.0260	0.000	1	102.4437	0.399	13	102.4437	0.399	13	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:2:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:O[5]-2:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H){1|C<4>,1|O<2>,3|C<3>}	101.2690	0.000	1	101.2690	0.000	1	101.2690	0.000	1	101.2690	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	102.6080	0.000	1	102.6080	0.000	1	102.6080	0.000	1	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	101.6570	0.000	1	101.6570	0.000	1	101.6570	0.000	1	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	103.5000	0.000	1	103.5000	0.000	1	103.5000	0.000	1	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5])	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	102.8170	0.000	1	102.8170	0.000	1	102.8170	0.000	1	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	102.4690	0.000	1	102.4690	0.000	1	102.5925	0.031	2	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	102.7160	0.000	1	102.7160	0.000	1	102.5925	0.031	2	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5])	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	102.9310	0.000	1	102.9310	0.000	1	102.9310	0.000	1	102.6711	0.309	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:2:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	100.7230	0.072	2	100.8933	0.090	3	100.8933	0.090	3	100.8933	0.090	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:2:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	101.2340	0.000	1	100.8933	0.090	3	100.8933	0.090	3	100.8933	0.090	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	103.7320	0.075	2	103.7320	0.006	2	103.7320	0.006	2	103.7320	0.006	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	102.9470	0.000	1	102.9470	0.000	1	102.9470	0.000	1	102.9470	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:2:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Ga<3>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	102.3790	0.124	2	102.3790	0.015	2	102.3790	0.015	2	102.3790	0.015	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC){1|C<4>,1|H<1>,6|C<3>}	102.4820	0.055	2	102.4820	0.003	2	102.4820	0.003	2	102.4820	0.003	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O){1|H<1>,5|C<3>}	100.6810	0.171	2	100.6810	0.029	2	100.6810	0.029	2	100.4268	0.208	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O){6|C<3>}	99.9184	0.000	1	99.9184	0.000	1	99.9184	0.000	1	100.4268	0.208	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	101.2630	0.000	1	101.2630	0.000	1	101.6910	0.366	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	102.1190	0.000	1	102.1190	0.000	1	101.6910	0.366	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	101.3770	0.000	1	101.3770	0.000	1	101.4778	0.038	5	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	101.6540	0.000	1	101.6540	0.000	1	101.4778	0.038	5	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	101.4630	0.000	1	101.4527	0.055	3	101.4778	0.038	5	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.4475	0.332	2	101.4527	0.055	3	101.4778	0.038	5	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H){1|C<4>,1|O<1>,6|C<3>}	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,4|C<3>}	102.1760	0.000	1	102.1760	0.000	1	102.4890	0.196	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|O<1>,1|S<4>,4|C<3>}	102.8020	0.000	1	102.8020	0.000	1	102.4890	0.196	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	102.0490	0.000	1	101.6285	0.354	2	101.6285	0.354	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	101.2080	0.000	1	101.6285	0.354	2	101.6285	0.354	2	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	101.8065	0.033	2	101.8065	0.001	2	101.5907	0.070	4	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	101.3750	0.146	2	101.3750	0.021	2	101.5907	0.070	4	101.6945	0.189	16	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	102.5040	0.000	1	102.5040	0.000	1	102.5040	0.000	1	102.4235	0.013	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	102.3430	0.000	1	102.3430	0.000	1	102.3430	0.000	1	102.4235	0.013	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H){8|C<3>}	101.0420	0.000	1	101.0420	0.000	1	101.0420	0.000	1	101.0420	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	101.7780	0.067	3	101.7780	0.004	3	101.7458	0.007	4	101.7458	0.007	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	101.6490	0.000	1	101.6490	0.000	1	101.7458	0.007	4	101.7458	0.007	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	101.8890	0.000	1	101.7530	0.037	2	101.7530	0.037	2	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	101.6170	0.000	1	101.7530	0.037	2	101.7530	0.037	2	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	101.6890	0.000	1	101.6890	0.000	1	101.6890	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	101.9545	0.043	2	101.9545	0.002	2	101.9545	0.002	2	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	101.4690	0.000	1	101.6333	0.033	4	101.6525	0.028	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	101.5910	0.082	2	101.6333	0.033	4	101.6525	0.028	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	101.8820	0.000	1	101.6333	0.033	4	101.6525	0.028	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	101.6910	0.192	2	101.6910	0.037	2	101.6525	0.028	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	101.4850	0.000	1	101.4850	0.000	1	102.6606	17.287	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	101.3337	0.041	3	101.3337	0.002	3	102.6606	17.287	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2{2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	105.2389	8.153	2	105.2389	66.473	2	102.6606	17.287	6	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	102.0170	0.000	1	102.0170	0.000	1	102.0170	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H){1|H<1>,7|C<3>}	101.8120	0.000	1	101.8120	0.000	1	101.8120	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|H<1>,7|C<3>}	100.5571	1.102	2	100.5571	1.213	2	100.5821	0.609	3	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|C<4>,1|S<4>,6|C<3>}	100.6320	0.000	1	100.6320	0.000	1	100.5821	0.609	3	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O){1|H<1>,2|N<2>,3|C<3>,3|C<4>}	101.9110	0.000	1	101.9110	0.000	1	101.9295	0.001	2	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.9480	0.000	1	101.9480	0.000	1	101.9295	0.001	2	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	101.9770	0.000	1	101.9770	0.000	1	101.9770	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<1>,4|C<3>}	103.7190	0.000	1	103.7190	0.000	1	103.7190	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.2300	0.000	1	101.4195	0.072	2	101.2806	0.036	5	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.6090	0.000	1	101.4195	0.072	2	101.2806	0.036	5	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	101.2170	0.054	2	101.1880	0.004	3	101.2806	0.036	5	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	101.1300	0.000	1	101.1880	0.004	3	101.2806	0.036	5	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	102.3140	0.000	1	102.3140	0.000	1	102.3140	0.000	1	101.8384	3.304	32	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	102.3330	0.000	1	102.3330	0.000	1	102.3330	0.000	1	102.3107	0.025	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	102.4490	0.000	1	102.4490	0.000	1	102.3033	0.038	3	102.3107	0.025	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	102.0830	0.000	1	102.0830	0.000	1	102.3033	0.038	3	102.3107	0.025	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	102.3780	0.000	1	102.3780	0.000	1	102.3033	0.038	3	102.3107	0.025	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O){1|H<1>,3|C<4>,5|C<3>}	102.5530	0.000	1	102.5530	0.000	1	102.5530	0.000	1	102.5530	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.2500	0.000	1	101.2500	0.000	1	101.2500	0.000	1	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	102.1670	0.000	1	102.4005	0.109	2	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	102.6340	0.000	1	102.4005	0.109	2	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	102.3850	0.000	1	101.7642	0.451	5	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	102.3020	0.000	1	101.7642	0.451	5	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	102.0500	0.000	1	101.7642	0.451	5	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	101.0050	0.000	1	101.7642	0.451	5	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	101.0790	0.000	1	101.7642	0.451	5	101.9460	0.415	7	101.8590	0.416	8	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	102.1950	0.000	1	102.1950	0.000	1	102.0380	0.296	7	102.0380	0.296	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	102.0820	0.000	1	102.0118	0.349	6	102.0380	0.296	7	102.0380	0.296	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	102.3560	0.000	1	102.0118	0.349	6	102.0380	0.296	7	102.0380	0.296	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	101.9082	0.726	4	102.0118	0.349	6	102.0380	0.296	7	102.0380	0.296	7	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H){2|H<1>,5|C<3>}	98.6635	0.063	2	98.6635	0.004	2	98.6635	0.004	2	98.6635	0.004	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.4160	0.441	2	101.5930	0.114	6	101.5930	0.114	6	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	102.0520	0.000	1	101.5930	0.114	6	101.5930	0.114	6	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.4400	0.117	2	101.5930	0.114	6	101.5930	0.114	6	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	101.7940	0.000	1	101.5930	0.114	6	101.5930	0.114	6	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	101.8710	0.000	1	101.8710	0.000	1	101.8710	0.000	1	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	102.6023	0.085	3	102.6023	0.007	3	102.6111	0.067	8	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	102.0530	0.000	1	102.0530	0.000	1	102.6111	0.067	8	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.6665	0.148	2	102.7572	0.019	4	102.6111	0.067	8	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.8480	0.035	2	102.7572	0.019	4	102.6111	0.067	8	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	102.4260	0.000	1	102.4260	0.000	1	102.4260	0.000	1	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.5250	0.299	8	101.6334	0.122	10	101.6334	0.122	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	102.0910	0.000	1	101.6334	0.122	10	101.6334	0.122	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	102.0430	0.000	1	101.6334	0.122	10	101.6334	0.122	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	101.8880	0.000	1	101.8880	0.000	1	101.8880	0.000	1	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.4534	0.253	5	101.4534	0.064	5	101.4534	0.064	5	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	101.4480	0.000	1	101.4480	0.000	1	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	101.6370	0.000	1	101.6370	0.000	1	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	101.5940	0.165	4	101.6128	0.022	5	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	101.6880	0.000	1	101.6128	0.022	5	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	102.0390	0.000	1	102.0390	0.000	1	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	102.4720	0.000	1	102.3905	0.013	2	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.3090	0.000	1	102.3905	0.013	2	101.7969	0.131	10	101.8620	0.249	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	101.6210	0.000	1	101.6210	0.000	1	101.6210	0.000	1	101.6210	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	101.8860	0.000	1	101.8860	0.000	1	101.8860	0.000	1	102.1868	0.043	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	102.2510	0.000	1	102.2510	0.000	1	102.2870	0.004	3	102.1868	0.043	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	102.3050	0.078	2	102.3050	0.006	2	102.2870	0.004	3	102.1868	0.043	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.6950	0.000	1	102.6950	0.000	1	102.6950	0.000	1	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	102.1220	0.000	1	102.0180	0.022	2	102.1253	0.045	3	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.9140	0.000	1	102.0180	0.022	2	102.1253	0.045	3	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	102.3400	0.000	1	102.3400	0.000	1	102.1253	0.045	3	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	101.8470	0.000	2	101.8470	0.000	2	101.1925	0.189	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.6720	0.000	1	100.9743	0.037	6	101.1925	0.189	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.1250	0.000	1	100.9743	0.037	6	101.1925	0.189	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.0513	0.151	3	100.9743	0.037	6	101.1925	0.189	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	100.8950	0.000	1	100.9743	0.037	6	101.1925	0.189	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	101.4510	0.000	1	101.4510	0.000	1	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.9700	0.000	1	101.0959	0.112	7	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.9975	0.066	2	101.0959	0.112	7	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.8470	0.000	1	101.0959	0.112	7	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.5555	0.169	2	101.0959	0.112	7	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.7480	0.000	1	101.0959	0.112	7	101.1402	0.112	8	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	102.1290	0.000	1	102.1290	0.000	1	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.4075	0.279	2	101.4075	0.078	2	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.7365	0.165	2	100.7365	0.027	2	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.2980	0.000	1	101.4307	0.025	3	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.4970	0.153	2	101.4307	0.025	3	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.8860	0.000	1	101.5470	0.131	7	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	100.8430	0.000	1	101.5470	0.131	7	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.6200	0.195	5	101.5470	0.131	7	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	101.0025	0.486	2	101.0025	0.236	2	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.9180	0.126	2	101.9180	0.016	2	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	101.8255	0.400	2	101.8255	0.160	2	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.6330	0.000	1	101.6330	0.000	1	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.8000	0.000	1	101.6758	0.033	5	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.9210	0.000	1	101.6758	0.033	5	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.5527	0.079	3	101.6758	0.033	5	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	101.6820	0.000	1	101.6820	0.000	1	101.5259	0.161	28	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.8580	0.000	1	100.8580	0.000	1	100.8580	0.000	1	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.8790	0.000	1	101.8790	0.000	1	101.7614	0.101	5	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.2930	0.000	1	101.2930	0.000	1	101.7614	0.101	5	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.8655	0.357	2	101.8655	0.128	2	101.7614	0.101	5	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,3|C<4>}	101.9040	0.000	1	101.9040	0.000	1	101.7614	0.101	5	101.4837	0.228	54	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	99.3242	0.273	2	99.3242	0.075	2	99.3242	0.075	2	99.3242	0.075	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	102.2410	0.000	1	102.2410	0.000	1	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	102.9520	0.000	1	102.9520	0.000	1	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	102.8280	0.000	1	102.8280	0.000	1	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	102.9040	0.000	1	102.7945	0.024	2	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	102.6850	0.000	1	102.7945	0.024	2	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	102.2810	0.000	1	102.2810	0.000	1	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	102.4850	0.143	2	102.4850	0.020	2	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	102.2250	0.000	1	102.1840	0.003	2	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	102.1430	0.000	1	102.1840	0.003	2	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.5577	0.301	4	102.5577	0.091	4	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:2:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	102.2670	0.000	1	102.2670	0.000	1	102.5151	0.085	15	102.5151	0.085	15	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a])(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	102.3520	0.000	1	102.3520	0.000	1	102.3520	0.000	1	102.0850	0.143	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O){1|C<4>,1|H<1>,4|C<3>}	101.8180	0.000	1	101.8180	0.000	1	101.8180	0.000	1	102.0850	0.143	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.7440	0.000	2	101.7440	0.000	2	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.5275	0.821	2	102.5275	0.674	2	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.9120	0.114	3	102.0914	0.174	5	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.8980	0.000	1	102.0914	0.174	5	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.8230	0.000	1	102.0914	0.174	5	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	102.6860	0.000	1	102.6860	0.000	1	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	102.8730	0.000	1	102.8730	0.000	1	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.3380	0.000	1	102.3380	0.000	1	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	102.5010	0.000	1	102.5010	0.000	1	102.2614	0.234	13	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.6340	0.000	1	101.6340	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.7150	0.000	1	102.5502	0.109	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.4810	0.000	1	102.5502	0.109	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.0070	0.000	1	102.5502	0.109	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	102.7740	0.085	2	102.5502	0.109	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	103.4570	0.000	1	103.4570	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.8670	1.240	2	102.3686	0.994	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.4310	0.000	1	102.3686	0.994	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	102.6690	0.000	1	102.3686	0.994	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	101.0090	0.000	1	102.3686	0.994	5	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	102.0230	0.000	1	102.0230	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	102.1900	0.000	1	102.1900	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.3840	0.000	1	102.3840	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.9720	0.000	1	102.9720	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	103.1150	0.000	1	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	102.5170	0.000	1	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	102.9920	0.000	1	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.7895	0.361	2	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.4320	0.000	1	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.7903	0.431	6	102.7814	0.128	12	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	102.6850	0.000	1	102.7970	0.061	3	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	102.6250	0.000	1	102.7970	0.061	3	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	103.0810	0.000	1	102.7970	0.061	3	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	102.0470	0.000	1	102.0470	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	103.0580	0.000	1	103.0580	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	102.3060	0.000	1	102.4873	0.018	4	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	102.5477	0.076	3	102.4873	0.018	4	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	102.2790	0.000	1	102.2790	0.000	1	102.5883	0.265	38	102.5050	0.273	51	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|N<2>,3|H<1>,6|C<3>}	100.1090	0.000	2	100.1090	0.000	2	100.1090	0.000	2	100.1090	0.000	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,3|C<3>}	102.1250	0.000	1	102.1250	0.000	1	101.7855	0.059	4	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.6723	0.109	3	101.6723	0.012	3	101.7855	0.059	4	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	102.3770	0.000	1	101.7708	0.155	13	101.7708	0.155	13	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	102.2750	0.000	1	101.7708	0.155	13	101.7708	0.155	13	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.5582	0.240	9	101.7708	0.155	13	101.7708	0.155	13	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	102.0300	0.000	1	101.7708	0.155	13	101.7708	0.155	13	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	102.3150	0.000	1	101.7708	0.155	13	101.7708	0.155	13	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	101.7970	0.000	1	101.7970	0.000	1	101.7970	0.000	1	101.7756	0.120	18	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|H<1>,4|C<3>}	100.8380	0.000	2	100.8380	0.000	2	100.6235	0.061	4	100.6235	0.061	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	100.4090	0.000	2	100.4090	0.000	2	100.6235	0.061	4	100.6235	0.061	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	101.8330	0.000	1	101.8330	0.000	1	101.8330	0.000	1	101.8330	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	100.8670	0.000	1	100.8670	0.000	1	100.8670	0.000	1	101.2020	0.069	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a])(O){1|Br<1>,1|N<3>,2|C<3>,3|C<4>}	101.2365	0.142	2	101.2365	0.020	2	101.3137	0.028	3	101.2020	0.069	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a])(O){1|H<1>,3|C<3>,3|C<4>}	101.4680	0.000	1	101.4680	0.000	1	101.3137	0.028	3	101.2020	0.069	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:2:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	99.8932	0.000	1	99.8932	0.000	1	99.8932	0.000	1	99.8932	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	101.6900	0.000	1	101.6900	0.000	1	101.8617	0.066	6	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	101.8310	0.263	4	101.8310	0.069	4	101.8617	0.066	6	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	102.1560	0.000	1	102.1560	0.000	1	101.8617	0.066	6	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	101.4720	0.031	2	101.4270	0.007	3	101.4270	0.007	3	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	101.3370	0.000	1	101.4270	0.007	3	101.4270	0.007	3	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.3710	0.263	6	101.4002	0.099	11	101.4638	0.138	12	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.1830	0.229	3	101.4002	0.099	11	101.4638	0.138	12	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	101.8135	0.217	2	101.4002	0.099	11	101.4638	0.138	12	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	102.1640	0.000	1	102.1640	0.000	1	101.4638	0.138	12	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	101.9590	0.132	2	101.9590	0.017	2	101.9590	0.017	2	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	101.6240	0.000	1	101.6240	0.000	1	101.6240	0.000	1	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	101.4180	0.000	1	101.4180	0.000	1	101.4180	0.000	1	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	101.6680	0.000	1	101.6680	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	102.1730	0.000	1	102.1730	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	101.4080	0.587	2	101.4080	0.344	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.8050	0.000	1	101.8465	0.003	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	101.8880	0.000	1	101.8465	0.003	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	101.9590	0.000	1	101.8220	0.038	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	101.6850	0.000	1	101.8220	0.038	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,5|C<3>}	102.0330	0.000	1	102.1073	0.242	3	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	101.6570	0.000	1	102.1073	0.242	3	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.6320	0.000	1	102.1073	0.242	3	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	102.4920	0.000	1	102.4920	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	102.0740	0.000	1	102.4470	0.278	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	102.8200	0.000	1	102.4470	0.278	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	101.6810	0.000	1	101.6810	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	102.0560	0.000	1	102.0560	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|H<1>,4|C<3>}	102.9910	0.055	2	102.9910	0.003	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	102.3070	0.240	6	102.3070	0.058	6	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	101.6990	0.232	2	101.6990	0.054	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.4770	0.000	1	102.4770	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.7220	0.611	2	101.9613	0.358	3	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.4400	0.000	1	101.9613	0.358	3	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	102.9910	0.000	1	102.9910	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	102.0420	0.000	1	102.0420	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|O<2>,5|C<3>}	102.4000	1.147	2	102.4000	1.315	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	101.0140	0.798	2	101.0140	0.636	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	102.3255	0.144	2	102.3255	0.021	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	102.0600	0.000	1	102.0090	0.005	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	101.9580	0.000	1	102.0090	0.005	2	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	101.8960	0.000	1	101.8960	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	101.9770	0.000	1	101.9770	0.000	1	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	101.7625	0.172	4	101.7625	0.030	4	102.0538	0.278	46	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.6070	0.000	1	101.7210	0.026	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.8350	0.000	1	101.7210	0.026	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	101.1900	0.000	1	101.1900	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.6470	0.000	1	102.0765	0.369	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	102.5060	0.000	1	102.0765	0.369	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.7990	0.000	1	101.7990	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	101.5200	0.000	1	101.5916	0.265	5	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	102.1005	0.190	2	101.5916	0.265	5	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<2>,3|C<3>,3|C<4>}	101.2790	0.000	1	101.5916	0.265	5	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	100.9580	0.000	1	101.5916	0.265	5	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,2|C<3>,4|C<4>}	101.3070	0.000	1	101.0342	0.070	13	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.1750	0.322	3	101.0342	0.070	13	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,3|C<3>,3|C<4>}	101.1315	0.152	2	101.0342	0.070	13	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.9071	0.241	7	101.0342	0.070	13	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.7660	0.000	1	101.3105	0.415	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	100.8550	0.000	1	101.3105	0.415	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.1100	0.000	1	101.4249	0.080	9	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.5770	0.000	1	101.4249	0.080	9	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.0390	0.000	1	101.4249	0.080	9	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.5163	0.254	6	101.4249	0.080	9	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.8340	0.000	1	101.4838	0.407	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.2000	0.943	2	101.4838	0.407	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.7010	0.000	1	101.4838	0.407	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	101.6965	0.326	2	101.7410	0.059	3	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	101.8300	0.000	1	101.7410	0.059	3	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,2|H<1>,4|C<3>}	101.7130	0.000	1	101.7130	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<2>,2|H<1>,4|C<3>}	101.7510	0.000	1	101.7510	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	101.3017	0.165	4	101.3017	0.027	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	102.0275	0.069	2	102.0275	0.005	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|S<4>,2|H<1>,4|C<3>}	103.4800	0.000	1	103.4800	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	102.5440	0.000	1	102.5440	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	102.6450	0.000	1	102.6450	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	101.5600	0.291	2	101.5600	0.085	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	102.1240	0.000	1	102.1240	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.1870	0.000	1	102.3287	0.067	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.6370	0.000	1	102.3287	0.067	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	102.2455	0.267	2	102.3287	0.067	4	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.7820	0.000	1	102.0972	0.185	6	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.8690	0.000	1	102.0972	0.185	6	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	102.6105	0.309	2	102.0972	0.185	6	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.8555	0.179	2	102.0972	0.185	6	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<2>,2|H<1>,4|C<3>}	101.9145	0.060	2	101.9145	0.004	2	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,6|C<3>}	102.7730	0.000	1	102.7730	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	102.7310	0.000	1	102.7310	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.8050	0.000	1	101.8050	0.000	1	101.6657	0.345	71	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|S<4>,5|C<3>}	102.3480	0.000	1	102.3480	0.000	1	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|H<1>,4|C<3>}	101.6050	0.000	1	101.6050	0.000	1	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.6560	0.000	1	101.6560	0.000	1	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	102.6727	0.534	3	102.6727	0.285	3	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	102.1485	0.090	2	102.1485	0.008	2	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	102.1320	0.000	1	102.1320	0.000	1	102.2284	0.240	9	101.8064	0.323	151	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	102.1620	0.000	1	102.1620	0.000	1	102.1620	0.000	1	102.1620	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a])(O){3|C<3>,4|C<4>}	100.9090	0.000	1	100.9090	0.000	1	100.9090	0.000	1	100.9090	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	102.7520	0.000	1	102.7520	0.000	1	102.7520	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	102.1260	0.000	1	102.1260	0.000	1	102.1260	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.0005	0.098	2	102.0110	0.005	3	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.0320	0.000	1	102.0110	0.005	3	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	101.4930	0.000	1	101.4930	0.000	1	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<2>,1|C<4>,5|C<3>}	101.3670	0.000	1	101.3670	0.000	1	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.1880	0.000	1	102.1880	0.000	1	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	101.7600	0.000	1	101.7290	0.002	2	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,6|C<3>}	101.6980	0.000	1	101.7290	0.002	2	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	102.0990	0.000	1	102.0990	0.000	1	101.8487	0.082	9	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	101.0770	0.000	1	101.0770	0.000	1	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.2930	0.000	1	100.9540	0.230	2	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	100.6150	0.000	1	100.9540	0.230	2	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	102.1850	0.000	1	102.1412	0.648	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	101.4460	0.000	1	102.1412	0.648	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	103.2560	0.000	1	102.1412	0.648	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	101.6780	0.000	1	102.1412	0.648	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.7740	0.000	1	101.2694	0.151	11	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.3316	0.282	8	101.2694	0.151	11	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	100.7680	0.404	2	101.2694	0.151	11	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	101.7990	0.000	1	101.7990	0.000	1	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	100.9545	0.062	2	101.1416	0.090	5	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	101.1080	0.300	2	101.1416	0.090	5	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	101.5830	0.000	1	101.1416	0.090	5	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	100.9750	0.710	2	101.3202	0.117	24	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	101.3466	0.314	18	101.3202	0.117	24	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	101.0630	0.000	1	101.3202	0.117	24	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	101.4777	0.245	3	101.3202	0.117	24	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	101.7740	0.000	1	101.7740	0.000	1	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	100.8160	0.000	1	101.1075	0.170	2	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	101.3990	0.000	1	101.1075	0.170	2	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.9940	0.000	1	101.0913	0.045	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){2|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.1237	0.248	3	101.0913	0.045	4	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.8120	0.721	2	101.8120	0.520	2	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,6|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	100.9760	0.000	1	100.9760	0.000	1	101.3389	0.212	58	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	101.8875	0.387	2	101.8875	0.150	2	101.5268	0.120	6	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	101.2380	0.000	1	101.2380	0.000	1	101.5268	0.120	6	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	101.5020	0.000	1	101.5020	0.000	1	101.5268	0.120	6	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.2130	0.000	1	101.2130	0.000	1	101.5268	0.120	6	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	101.4330	0.000	1	101.4330	0.000	1	101.5268	0.120	6	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.0850	0.000	1	101.0850	0.000	1	101.0850	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	101.1720	0.000	1	101.1720	0.000	1	101.4115	0.115	2	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	101.6510	0.000	1	101.6510	0.000	1	101.4115	0.115	2	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	102.0790	0.000	1	102.0790	0.000	1	102.0790	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	101.0143	0.050	3	101.0143	0.003	3	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.0883	0.402	3	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.8767	0.286	6	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.6750	0.102	4	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.7090	0.000	1	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.4540	0.035	2	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.7115	0.178	4	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	100.7850	0.232	5	100.7845	0.071	25	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	100.9250	0.000	1	100.9115	0.000	2	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	100.8980	0.000	1	100.9115	0.000	2	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	101.1930	0.045	2	101.1930	0.002	2	100.8395	0.069	32	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.6210	0.000	1	101.6210	0.000	1	101.6210	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.0700	0.000	1	101.2820	0.090	2	101.4320	0.112	3	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	101.4940	0.000	1	101.2820	0.090	2	101.4320	0.112	3	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.7320	0.000	1	101.7320	0.000	1	101.4320	0.112	3	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	101.2825	0.256	116	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,4|C<3>,4|H<1>}	102.4600	0.000	1	102.4600	0.000	1	102.4600	0.000	1	102.4600	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	101.2100	0.000	1	101.2100	0.000	1	101.5395	0.217	2	101.5395	0.217	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<2>,2|C<2>,5|C<3>}	101.8690	0.000	1	101.8690	0.000	1	101.5395	0.217	2	101.5395	0.217	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	N[5,6]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O){2|C<3>,2|H<1>,7|C<4>}	101.2780	0.000	1	101.2780	0.000	1	101.2780	0.000	1	101.2780	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H){2|C<4>,2|H<1>,4|C<3>}	99.1659	0.000	1	99.1659	0.000	1	98.7911	0.211	3	99.8575	2.363	5	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	98.6037	0.461	2	98.6037	0.212	2	98.7911	0.211	3	99.8575	2.363	5	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(O){2|H<1>,3|C<3>,3|C<4>}	101.9570	0.000	1	101.9570	0.000	1	101.9570	0.000	1	99.8575	2.363	5	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){3|H<1>,5|C<3>}	100.9570	0.000	1	100.9570	0.000	1	100.9570	0.000	1	99.8575	2.363	5	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	100.6500	0.000	1	100.6500	0.000	1	100.6500	0.000	1	100.6500	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3){1|N<3>,3|C<3>,4|H<1>}	98.9806	0.000	1	98.9806	0.000	1	99.4016	0.241	4	99.4016	0.241	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){2|C<4>,2|H<1>,4|C<3>}	100.0940	0.000	1	99.5419	0.243	3	99.4016	0.241	4	99.4016	0.241	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){2|C<4>,2|H<1>,4|C<3>}	99.2658	0.171	2	99.5419	0.243	3	99.4016	0.241	4	99.4016	0.241	4	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	101.4090	0.000	1	101.4090	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	100.7950	0.017	3	100.7950	0.000	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	100.5610	0.000	1	100.5610	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	101.8350	0.000	1	101.8350	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	101.4700	0.000	1	101.4894	0.082	5	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	101.4942	0.331	4	101.4894	0.082	5	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.8460	0.000	1	101.6605	0.069	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.4750	0.000	1	101.6605	0.069	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.4380	0.000	1	101.4380	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	101.4720	0.000	1	101.4720	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.8300	0.000	1	102.1690	0.230	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	102.5080	0.000	1	102.1690	0.230	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	101.7740	0.008	2	101.7527	0.001	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	101.7100	0.000	1	101.7527	0.001	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	100.8080	0.000	1	100.8080	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	101.2880	0.984	2	101.1155	0.363	4	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	100.9430	0.000	2	101.1155	0.363	4	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.1660	0.000	1	102.1660	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	102.4100	0.000	1	102.4100	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<2>,5|C<3>}	102.2290	0.000	1	102.2290	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	101.9870	0.000	1	101.9870	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O){2|C<2>,2|H<1>,4|C<3>}	102.9840	0.000	1	102.9840	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	103.0920	0.000	1	103.0920	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	102.5760	0.000	1	102.1683	0.178	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	101.7330	0.000	1	102.1683	0.178	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	102.1960	0.000	1	102.1683	0.178	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	101.2355	0.746	4	101.2326	0.417	5	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	101.2210	0.000	1	101.2326	0.417	5	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	102.0840	0.000	1	102.0840	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	101.8680	0.000	1	101.7527	0.122	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	102.0290	0.000	1	101.7527	0.122	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	101.3610	0.000	1	101.7527	0.122	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	101.2250	0.000	1	101.2250	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.1650	0.000	1	102.1650	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.2620	0.000	1	101.6450	0.286	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	101.3100	0.000	1	101.6450	0.286	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	101.3630	0.000	1	101.6450	0.286	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	101.8063	0.278	3	101.8185	0.052	4	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	101.8550	0.000	1	101.8185	0.052	4	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	102.0250	0.000	1	102.0250	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	103.0170	0.000	1	103.0170	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.5680	0.000	1	102.5680	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>,4|H<1>}	102.8200	0.000	1	102.8200	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	101.8270	0.000	1	101.8270	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	102.2940	0.000	1	102.2940	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	102.5600	0.000	1	102.5600	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){4|C<3>,4|H<1>}	102.2820	0.000	1	102.2820	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	102.2140	0.000	1	102.2140	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	101.9090	0.000	1	101.9090	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,6|C<3>}	102.0200	0.000	1	102.0865	0.009	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,5|C<3>}	102.1530	0.000	1	102.0865	0.009	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	102.4385	0.298	2	102.4385	0.089	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	101.7060	0.113	2	101.7060	0.013	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	102.5170	0.000	1	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.1110	0.000	1	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.1770	0.000	1	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	103.1950	0.492	2	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	101.9700	0.059	2	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.1017	0.286	3	102.3440	0.270	10	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>,3|H<1>}	101.8045	0.128	4	101.8045	0.016	4	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.2000	0.000	1	102.2000	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.4530	0.144	2	102.4530	0.021	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,6|C<3>}	101.8770	0.000	1	101.8770	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.6490	0.000	1	102.1601	0.355	8	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.7990	0.000	1	102.1601	0.355	8	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.8780	0.000	2	102.1601	0.355	8	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.7310	0.000	1	102.1601	0.355	8	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	102.7820	0.543	3	102.1601	0.355	8	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	101.9580	0.000	1	101.9580	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.1730	0.000	1	102.1730	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.9080	0.000	1	101.8510	0.006	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.7940	0.000	1	101.8510	0.006	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.3945	0.074	2	102.3945	0.006	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	103.2760	0.000	1	103.2760	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	102.3240	0.000	1	102.3240	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|H<1>,4|C<3>}	102.3730	0.000	1	102.1870	0.069	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.0010	0.000	1	102.1870	0.069	2	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	102.6160	0.000	1	102.6160	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	103.2900	0.000	1	103.2900	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.4910	0.000	1	102.4910	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	102.7940	0.000	1	102.8527	0.025	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	103.0310	0.000	1	102.8527	0.025	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	102.7330	0.000	1	102.8527	0.025	3	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	101.9630	0.000	1	101.9630	0.000	1	101.9786	0.384	111	101.9786	0.384	111	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	102.0790	0.000	1	102.0790	0.000	1	102.0790	0.000	1	102.0790	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	102.2160	0.000	1	102.2160	0.000	1	102.2160	0.000	1	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	102.0720	0.000	1	102.0720	0.000	1	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O){1|C<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<2>,6|C<3>}	102.2750	0.000	1	102.2750	0.000	1	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	102.0090	0.000	1	101.8234	0.164	7	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	102.1035	0.359	2	101.8234	0.164	7	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	101.7145	0.275	2	101.8234	0.164	7	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	101.5595	0.653	2	101.8234	0.164	7	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	102.7040	0.000	1	102.7040	0.000	1	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.7480	0.426	2	101.7480	0.181	2	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,1|S<2>,6|C<3>}	101.8350	0.000	1	102.0620	0.103	2	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,1|S<2>,6|C<3>}	102.2890	0.000	1	102.0620	0.103	2	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	101.5025	0.066	4	101.5025	0.004	4	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.5475	0.090	2	101.5475	0.008	2	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	102.7182	0.278	4	102.5718	0.165	5	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	101.9860	0.000	1	102.5718	0.165	5	101.9760	0.246	25	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	101.5210	0.000	1	101.5210	0.000	1	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	101.6230	0.000	1	101.6230	0.000	1	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.2850	0.069	2	102.4644	0.044	5	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.5840	0.179	3	102.4644	0.044	5	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	102.4840	0.000	1	102.3697	0.070	6	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	102.3500	0.333	4	102.3697	0.070	6	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.3340	0.000	1	102.3697	0.070	6	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	103.4320	0.000	1	103.4320	0.000	1	102.3654	0.229	14	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	101.7720	0.182	2	101.7720	0.033	2	101.7720	0.033	2	102.1018	0.256	42	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:2:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.0570	0.000	1	102.0910	0.002	2	102.0910	0.002	2	102.0910	0.002	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:2:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	102.1250	0.000	1	102.0910	0.002	2	102.0910	0.002	2	102.0910	0.002	2	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	101.8070	0.000	1	101.8070	0.000	1	102.2175	0.337	2	102.4223	0.294	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	102.6280	0.000	1	102.6280	0.000	1	102.2175	0.337	2	102.4223	0.294	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.8320	0.000	1	102.8320	0.000	1	102.8320	0.000	1	102.4223	0.294	3	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	102.0190	0.000	1	102.0190	0.000	1	101.7970	0.099	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	101.5750	0.000	1	101.5750	0.000	1	101.7970	0.099	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	101.6510	0.079	2	101.6510	0.006	2	101.6527	0.006	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	101.5760	0.000	1	101.6545	0.012	2	101.6527	0.006	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	101.7330	0.000	1	101.6545	0.012	2	101.6527	0.006	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	102.2645	0.192	2	102.2645	0.037	2	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	101.9970	0.000	1	102.0855	0.037	4	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	102.2050	0.000	1	102.0855	0.037	4	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	102.0700	0.296	2	102.0855	0.037	4	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	101.9640	0.000	1	102.0270	0.008	2	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	102.0900	0.000	1	102.0270	0.008	2	102.1156	0.031	8	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	101.5220	0.000	1	101.5220	0.000	1	101.8215	0.179	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,6|C<3>}	102.1210	0.000	1	102.1210	0.000	1	101.8215	0.179	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,7|C<3>}	101.9230	0.492	2	101.9230	0.242	2	101.9680	0.127	3	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	102.0580	0.000	1	102.0580	0.000	1	101.9680	0.127	3	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.7380	0.000	1	101.7380	0.000	1	101.9510	0.166	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	102.2080	0.478	2	102.0220	0.218	3	101.9510	0.166	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.6500	0.000	1	102.0220	0.218	3	101.9510	0.166	4	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	102.2610	0.000	1	101.8840	0.284	2	101.8840	0.284	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.5070	0.000	1	101.8840	0.284	2	101.8840	0.284	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	101.4150	0.229	2	101.4150	0.052	2	101.4150	0.052	2	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	101.7920	0.000	1	101.7920	0.000	1	101.7920	0.000	1	101.8882	0.102	28	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	3:4:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	101.7730	0.000	1	101.7730	0.000	1	101.7730	0.000	1	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.3060	0.000	1	101.3060	0.000	1	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	101.8150	0.000	1	101.8150	0.000	1	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	102.2720	0.000	1	102.2720	0.000	1	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,4|C<3>}	102.1300	0.000	1	102.1300	0.000	1	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	102.3850	0.000	1	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.8400	0.000	1	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.0280	0.000	1	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.8210	0.231	2	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	102.4110	0.000	1	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.8435	0.562	2	101.8741	0.235	8	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.9002	0.390	6	101.8786	0.130	7	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.7490	0.000	1	101.8786	0.130	7	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.9150	0.000	1	101.9523	0.033	3	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	102.1510	0.000	1	101.9523	0.033	3	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.7910	0.000	1	101.9523	0.033	3	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.1110	0.000	1	101.3515	0.116	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.5920	0.000	1	101.3515	0.116	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,2|H<1>,5|C<3>}	102.5490	0.000	1	102.3810	0.056	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	102.2130	0.000	1	102.3810	0.056	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	101.8260	0.260	2	101.8838	0.158	9	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	101.9003	0.445	7	101.8838	0.158	9	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.5110	0.000	1	101.6480	0.038	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.7850	0.000	1	101.6480	0.038	2	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	102.1570	0.000	1	102.1433	0.017	3	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	102.1365	0.182	2	102.1433	0.017	3	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	101.3240	0.000	1	101.3240	0.000	1	101.8779	0.156	41	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	101.4490	0.000	1	101.4490	0.000	1	101.4490	0.000	1	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	102.7650	0.000	1	102.7650	0.000	1	102.2858	0.133	6	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.4500	0.000	1	102.4500	0.000	1	102.2858	0.133	6	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.9380	0.000	2	101.9380	0.000	2	102.2858	0.133	6	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.6010	0.000	1	102.3120	0.167	2	102.2858	0.133	6	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.0230	0.000	1	102.3120	0.167	2	102.2858	0.133	6	101.9169	0.167	49	101.7976	0.615	849	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,5,6]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,1|C<4>,6|C<3>}	99.4447	0.000	1	99.4447	0.000	1	99.4447	0.000	1	99.4447	0.000	1	99.4447	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	100.4670	0.231	2	100.4670	0.053	2	100.4670	0.053	2	101.0169	0.288	7	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	101.5685	0.646	2	101.5685	0.417	2	101.5685	0.417	2	101.0169	0.288	7	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	101.0835	0.131	2	101.0835	0.017	2	101.0835	0.017	2	101.0169	0.288	7	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	100.8800	0.000	1	100.8800	0.000	1	100.8800	0.000	1	101.0169	0.288	7	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	99.9567	0.313	3	99.9567	0.098	3	100.0580	0.106	4	100.3104	0.398	5	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	100.3620	0.000	1	100.3620	0.000	1	100.0580	0.106	4	100.3104	0.398	5	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	101.3200	0.000	1	101.3200	0.000	1	101.3200	0.000	1	100.3104	0.398	5	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	100.4330	0.000	1	100.4330	0.000	1	100.4330	0.000	1	100.4330	0.000	1	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	104.2310	27.826	2	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	100.5010	0.000	1	100.5010	0.000	1	100.5010	0.000	1	104.2310	27.826	2	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	100.8990	0.000	1	100.8990	0.000	1	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.1140	0.212	2	101.0258	0.167	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.3190	0.000	1	101.0258	0.167	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.5100	0.000	1	101.0258	0.167	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	100.5490	0.008	2	101.0258	0.167	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.3510	0.031	2	101.3585	0.013	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.3623	0.146	4	101.3585	0.013	6	101.1696	0.109	13	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	101.5850	0.000	1	101.5850	0.000	1	101.5850	0.000	1	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	102.1610	0.000	1	102.1610	0.000	1	102.1610	0.000	1	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	100.5970	0.000	1	100.5970	0.000	1	100.5970	0.000	1	101.2218	0.183	16	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	100.6730	0.000	1	100.6730	0.000	1	100.6730	0.000	1	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	101.4900	0.000	1	101.4900	0.000	1	101.4900	0.000	1	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	101.9110	0.000	1	101.9110	0.000	1	101.9040	0.000	2	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	101.8970	0.000	1	101.8970	0.000	1	101.9040	0.000	2	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,1|H<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){8|C<3>}	101.1030	0.000	1	101.1030	0.000	1	101.1030	0.000	1	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	100.9440	0.000	1	100.9440	0.000	1	101.0433	0.129	6	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	100.8500	0.000	1	100.8500	0.000	1	101.0433	0.129	6	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	100.6300	0.000	1	101.1165	0.192	4	101.0433	0.129	6	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	101.4225	0.368	2	101.1165	0.192	4	101.0433	0.129	6	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	100.9910	0.000	1	101.1165	0.192	4	101.0433	0.129	6	101.2122	0.215	11	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	100.3485	0.284	2	100.3485	0.080	2	100.3485	0.080	2	100.3485	0.080	2	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	99.3716	0.000	1	99.3716	0.000	1	99.3716	0.000	1	99.4889	0.012	3	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	99.5937	0.000	1	99.5937	0.000	1	99.5937	0.000	1	99.4889	0.012	3	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	99.5013	0.000	1	99.5013	0.000	1	99.5013	0.000	1	99.4889	0.012	3	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	101.1430	0.000	1	101.1430	0.000	1	101.1430	0.000	1	101.1430	0.000	1	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	100.2616	0.483	2	100.2616	0.233	2	100.4324	0.204	3	100.5310	0.258	6	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	100.7740	0.000	1	100.7740	0.000	1	100.4324	0.204	3	100.5310	0.258	6	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	99.9830	0.000	1	99.9830	0.000	1	99.9830	0.000	1	100.5310	0.258	6	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	100.9530	0.445	2	100.9530	0.198	2	100.9530	0.198	2	100.5310	0.258	6	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	103.4200	0.000	1	103.4200	0.000	1	103.4200	0.000	1	103.4200	0.000	1	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:1:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H){1|P<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6a]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5a,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2){1|H<1>,8|C<3>}	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	99.9719	1.775	2	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,1|H<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){1|H<1>,8|C<3>}	99.0297	0.000	1	99.0297	0.000	1	99.0297	0.000	1	99.9719	1.775	2	101.0485	1.531	58	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	100.3875	0.033	2	100.3875	0.001	2	100.3875	0.001	2	100.3875	0.001	2	100.3875	0.001	2	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	3:3:4:3:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	99.7883	0.356	2	99.7883	0.127	2	99.7883	0.127	2	99.7883	0.127	2	99.5116	0.159	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6,6]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]){3|C<3>,4|C<4>,4|H<1>}	99.5318	0.059	2	99.5318	0.003	2	99.5318	0.003	2	99.3272	0.127	3	99.5116	0.159	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a]){3|C<4>,3|H<1>,4|C<3>}	98.9181	0.000	1	98.9181	0.000	1	98.9181	0.000	1	99.3272	0.127	3	99.5116	0.159	5	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	99.1797	0.000	1	99.1797	0.000	1	99.1797	0.000	1	99.1797	0.000	1	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	101.6820	0.000	1	101.6820	0.000	1	101.6820	0.000	1	101.6820	0.000	1	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	98.8544	1.420	2	98.8544	2.017	2	98.8544	2.017	2	98.8544	2.017	2	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	101.4380	0.000	1	101.4380	0.000	1	101.5935	0.048	2	101.5935	0.048	2	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	101.7490	0.000	1	101.7490	0.000	1	101.5935	0.048	2	101.5935	0.048	2	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	99.2448	0.000	1	99.2448	0.000	1	99.2448	0.000	1	99.2448	0.000	1	100.1432	2.283	7	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	101.7970	0.000	1	101.7970	0.000	1	101.6312	0.057	4	101.6312	0.057	4	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	101.7000	0.208	2	101.7000	0.043	2	101.6312	0.057	4	101.6312	0.057	4	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,4|C<3>}	101.3280	0.000	1	101.3280	0.000	1	101.6312	0.057	4	101.6312	0.057	4	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	4:3:2:3:	4:3:3:	4:3:1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	102.2130	0.000	1	102.2130	0.000	1	102.2130	0.000	1	102.2130	0.000	1	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.3600	0.000	1	101.3600	0.000	1	101.9215	0.631	2	101.9215	0.631	2	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.4830	0.000	1	102.4830	0.000	1	101.9215	0.631	2	101.9215	0.631	2	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6a]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){2|C<4>,5|H<1>,7|C<3>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O){2|C<4>,2|O<2>,4|C<3>}	101.6050	0.000	1	101.6050	0.000	1	101.6050	0.000	1	101.6050	0.000	1	101.7733	0.164	8	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[5,6]	3:3:4:1:	3:4:3:	4:3:4:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5]){1|C<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	101.9610	0.000	1	101.9610	0.000	1	101.9610	0.000	1	101.9610	0.000	1	101.9610	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	102.5150	0.328	2	102.5150	0.108	2	102.5150	0.108	2	102.5150	0.108	2	101.6818	0.486	9	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	101.9165	0.161	2	101.9165	0.026	2	101.9165	0.026	2	101.9165	0.026	2	101.6818	0.486	9	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	101.3623	0.764	3	101.3623	0.584	3	101.3623	0.584	3	101.3623	0.584	3	101.6818	0.486	9	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,1|N<2>,3|C<3>}	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	101.3010	0.000	1	101.0930	0.087	2	101.0930	0.087	2	101.0930	0.087	2	101.6818	0.486	9	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,4|C<3>}	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	100.8850	0.000	1	101.0930	0.087	2	101.0930	0.087	2	101.0930	0.087	2	101.6818	0.486	9	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:1:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni){1|C<4>,1|N<3>,4|C<3>}	102.4790	1.143	2	102.4790	1.306	2	102.4790	1.306	2	102.4790	1.306	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	102.6850	0.000	1	102.6850	0.000	1	102.6850	0.000	1	102.6850	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	102.6270	0.000	1	102.6270	0.000	1	102.6270	0.000	1	102.6270	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	101.4180	0.174	2	101.4180	0.030	2	101.4180	0.030	2	101.4180	0.030	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	102.5870	0.000	1	102.5870	0.000	1	102.1435	0.393	2	102.1435	0.393	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	101.7000	0.000	1	101.7000	0.000	1	102.1435	0.393	2	102.1435	0.393	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	103.2940	0.000	1	103.2940	0.000	1	103.2940	0.000	1	102.9320	0.262	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	102.5700	0.000	1	102.5700	0.000	1	102.5700	0.000	1	102.9320	0.262	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|C<3>}	98.8464	0.000	1	98.8464	0.000	1	98.8464	0.000	1	98.8464	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	102.1540	0.000	1	102.1540	0.000	1	102.1540	0.000	1	102.1540	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	99.4793	0.134	4	99.4793	0.018	4	99.4793	0.018	4	99.4793	0.018	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5a]-3:C[5,6]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	99.4799	0.000	1	99.4799	0.000	1	99.4799	0.000	1	99.4799	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	100.4720	0.000	1	100.4720	0.000	1	100.4720	0.000	1	99.0577	1.514	5	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	97.9262	1.053	2	97.9262	1.108	2	98.7041	1.185	4	99.0577	1.514	5	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	99.4820	0.162	2	99.4820	0.026	2	98.7041	1.185	4	99.0577	1.514	5	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	101.1115	0.333	2	101.1115	0.111	2	101.1115	0.111	2	101.1115	0.111	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	103.3282	0.171	4	103.3282	0.029	4	103.1770	0.073	6	103.1770	0.073	6	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	102.8540	0.000	1	102.8540	0.000	1	103.1770	0.073	6	103.1770	0.073	6	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	102.8950	0.000	1	102.8950	0.000	1	103.1770	0.073	6	103.1770	0.073	6	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	102.6790	0.000	1	102.6790	0.000	1	102.6790	0.000	1	102.6790	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	4:3:3:	4:2:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	101.2210	0.000	1	101.2210	0.000	1	101.2210	0.000	1	101.2210	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	102.1520	0.000	1	102.1520	0.000	1	102.1520	0.000	1	105.7075	25.283	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	105.7075	25.283	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:2:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	100.1720	0.000	1	100.1720	0.000	1	100.1720	0.000	1	100.1720	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:2:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	99.2110	0.000	1	99.2110	0.000	1	99.2110	0.000	1	99.2110	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	100.8810	0.041	2	100.8810	0.002	2	100.8810	0.002	2	100.8810	0.002	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	102.3770	0.798	3	102.5608	0.398	5	102.5608	0.398	5	102.5608	0.398	5	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	102.8365	0.252	2	102.5608	0.398	5	102.5608	0.398	5	102.5608	0.398	5	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	101.7585	0.079	4	101.7585	0.006	4	101.7585	0.006	4	101.7585	0.006	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	101.3040	0.000	1	101.3040	0.000	1	101.3040	0.000	1	101.3040	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	99.2401	0.000	1	99.2401	0.000	1	99.3957	0.037	4	99.3957	0.037	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	99.6595	0.000	1	99.6595	0.000	1	99.3957	0.037	4	99.3957	0.037	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	99.4145	0.000	1	99.4145	0.000	1	99.3957	0.037	4	99.3957	0.037	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	99.2685	0.000	1	99.2685	0.000	1	99.3957	0.037	4	99.3957	0.037	4	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){2|C<4>,4|C<3>}	98.1228	0.000	1	98.1228	0.000	1	98.3198	0.451	3	98.3198	0.451	3	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	98.4184	0.918	2	98.4184	0.843	2	98.3198	0.451	3	98.3198	0.451	3	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	101.7810	0.000	1	101.7810	0.000	1	101.7810	0.000	1	101.7237	0.076	3	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.6950	0.385	2	101.6950	0.148	2	101.6950	0.148	2	101.7237	0.076	3	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	101.5090	0.000	1	101.5090	0.000	1	101.5090	0.000	1	101.5090	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	98.9607	0.000	1	98.8730	0.165	6	98.8730	0.165	6	98.8730	0.165	6	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:4:	4:3:3:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	98.8555	0.452	5	98.8730	0.165	6	98.8730	0.165	6	98.8730	0.165	6	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:1:	4:3:3:	4:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	100.2900	0.000	1	100.2900	0.000	1	100.2900	0.000	1	100.2900	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:1:	4:3:3:	4:4:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	103.4295	1.104	2	103.4295	1.218	2	103.4295	1.218	2	103.4295	1.218	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	100.5450	0.000	1	100.5450	0.000	1	100.5450	0.000	1	100.5450	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:2:3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	99.4022	0.088	3	99.4022	0.008	3	99.4022	0.008	3	99.4022	0.008	3	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:4:	4:3:3:	4:2:4:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	98.7367	0.000	1	98.7367	0.000	1	98.7367	0.000	1	98.7367	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:1:	3:4:3:	4:3:4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	102.4015	0.033	2	102.4015	0.001	2	102.4015	0.001	2	102.4015	0.001	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:1:	3:4:3:	4:4:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	102.4670	0.000	1	102.4670	0.000	1	102.4670	0.000	1	102.4670	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:1:	4:3:3:	4:4:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	102.8600	0.000	2	102.8600	0.000	2	102.8600	0.000	2	102.8600	0.000	2	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:2:	3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	103.4200	0.000	1	103.4200	0.000	1	103.4200	0.000	1	103.4200	0.000	1	101.1841	3.699	83	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:2:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	101.8970	0.000	1	101.8970	0.000	1	101.8970	0.000	1	101.8970	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:2:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[6]-2:O[6]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.7770	0.000	1	101.7770	0.000	1	101.3915	0.297	2	102.0527	1.460	3	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	101.0060	0.000	1	101.0060	0.000	1	101.3915	0.297	2	102.0527	1.460	3	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	102.0527	1.460	3	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	N[5,5a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	101.8820	0.000	1	101.8820	0.000	1	101.8820	0.000	1	101.8820	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.2210	0.000	1	100.9797	0.044	3	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	100.8590	0.020	2	100.9797	0.044	3	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	101.1405	0.144	2	100.8568	0.125	6	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.4480	0.000	1	100.8568	0.125	6	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.6150	0.000	1	100.8568	0.125	6	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.5700	0.000	1	100.8568	0.125	6	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	101.2270	0.000	1	100.8568	0.125	6	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	101.7130	0.000	1	101.7130	0.000	1	100.9793	0.149	10	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br)	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	102.2030	0.000	1	102.2030	0.000	1	102.2030	0.000	1	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	101.4720	0.000	1	101.4720	0.000	1	101.4720	0.000	1	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	100.2800	0.000	1	100.2099	0.076	4	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	100.0044	0.152	2	100.2099	0.076	4	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	100.5510	0.000	1	100.2099	0.076	4	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.2190	0.000	1	101.7277	0.194	3	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.9910	0.000	1	101.7277	0.194	3	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.9730	0.000	1	101.7277	0.194	3	100.8604	0.761	7	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	101.6670	0.000	1	101.6670	0.000	1	101.6670	0.000	1	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O){2|C<4>,4|C<3>}	101.8240	0.000	1	101.8240	0.000	1	101.8240	0.000	1	101.0944	0.433	21	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	102.2920	0.000	1	102.2920	0.000	1	101.6256	0.161	5	100.9163	0.879	9	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	101.5200	0.000	1	101.5200	0.000	1	101.6256	0.161	5	100.9163	0.879	9	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	101.5565	0.025	2	101.5565	0.001	2	101.6256	0.161	5	100.9163	0.879	9	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	101.2030	0.000	1	101.2030	0.000	1	101.6256	0.161	5	100.9163	0.879	9	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S){2|H<1>,4|C<3>}	100.0296	0.492	4	100.0296	0.242	4	100.0296	0.242	4	100.9163	0.879	9	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	100.8990	0.000	1	100.9730	0.011	2	101.2477	0.232	3	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.0470	0.000	1	100.9730	0.011	2	101.2477	0.232	3	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	101.7970	0.000	1	101.7970	0.000	1	101.2477	0.232	3	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	100.8135	0.725	2	100.8135	0.525	2	100.8135	0.525	2	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.5880	0.000	1	101.5880	0.000	1	101.5880	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	100.5330	0.000	1	100.5330	0.000	1	100.5330	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.4150	0.000	1	101.3210	0.048	3	101.0812	0.091	8	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.2740	0.287	2	101.3210	0.048	3	101.0812	0.091	8	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	100.9970	0.000	1	100.9374	0.067	5	101.0812	0.091	8	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	100.5200	0.000	1	100.9374	0.067	5	101.0812	0.091	8	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	101.0567	0.153	3	100.9374	0.067	5	101.0812	0.091	8	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	101.1880	0.000	1	101.0687	0.087	6	101.0687	0.087	6	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	101.2160	0.234	3	101.0687	0.087	6	101.0687	0.087	6	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	100.7880	0.298	2	101.0687	0.087	6	101.0687	0.087	6	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	101.0850	0.000	1	101.0850	0.000	1	101.4196	0.065	5	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	101.6470	0.000	1	101.5032	0.040	4	101.4196	0.065	5	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	101.4553	0.215	3	101.5032	0.040	4	101.4196	0.065	5	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	101.4150	0.000	1	101.4150	0.000	1	101.4150	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.4847	0.165	3	101.4288	0.192	6	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.3730	0.665	3	101.4288	0.192	6	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	101.1580	0.018	2	101.0070	0.069	3	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){6|C<3>}	100.7050	0.000	1	101.0070	0.069	3	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	101.1380	0.000	1	101.1380	0.000	1	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	100.8680	0.000	1	100.8680	0.000	1	101.2364	0.162	11	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	101.6280	0.000	1	101.6280	0.000	1	101.6280	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.7300	0.000	1	101.7300	0.000	1	101.7300	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	100.8930	0.000	1	100.8930	0.000	1	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	100.7810	0.000	1	100.9983	0.065	3	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	101.2790	0.000	1	100.9983	0.065	3	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	100.9350	0.000	1	100.9983	0.065	3	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	101.0270	0.000	1	101.0270	0.000	1	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	101.1360	0.378	2	101.1360	0.143	2	101.0267	0.053	7	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	101.2570	0.000	1	101.1705	0.014	4	101.1705	0.014	4	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	101.1295	0.173	2	101.1705	0.014	4	101.1705	0.014	4	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	101.1660	0.000	1	101.1705	0.014	4	101.1705	0.014	4	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	102.3605	0.148	2	102.3605	0.022	2	102.3605	0.022	2	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	102.1110	0.000	1	102.1110	0.000	1	102.1110	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	101.5720	0.000	1	101.4150	0.049	2	101.4150	0.049	2	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	101.2580	0.000	1	101.4150	0.049	2	101.4150	0.049	2	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	100.8320	0.000	1	100.8320	0.000	1	100.8320	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	101.6820	0.000	1	101.6820	0.000	1	101.6820	0.000	1	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	101.5820	0.147	2	101.5820	0.022	2	101.5820	0.022	2	101.2539	0.180	60	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	102.3700	0.221	2	101.7063	1.346	3	101.7662	0.694	5	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	100.3790	0.000	1	101.7063	1.346	3	101.7662	0.694	5	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	101.6870	0.000	1	101.8560	0.057	2	101.7662	0.694	5	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	102.0250	0.000	1	101.8560	0.057	2	101.7662	0.694	5	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	101.5370	0.534	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:Si-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3){1|O<1>,7|C<3>}	103.1060	0.000	1	103.1060	0.000	1	103.1060	0.000	1	103.1060	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	101.5670	0.000	1	101.5670	0.000	1	101.5670	0.000	1	101.4319	0.493	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	101.3717	0.820	6	101.3717	0.673	6	101.4126	0.572	7	101.4319	0.493	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	101.6580	0.000	1	101.6580	0.000	1	101.4126	0.572	7	101.4319	0.493	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	101.2390	0.000	1	101.2390	0.000	1	101.2390	0.000	1	101.6767	0.555	4	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.4535	0.770	2	101.4535	0.593	2	101.8227	0.705	3	101.6767	0.555	4	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	102.5610	0.000	1	102.5610	0.000	1	101.8227	0.705	3	101.6767	0.555	4	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H){1|C<4>,2|H<1>,4|C<3>}	98.1616	0.000	1	98.1228	0.003	2	98.1228	0.003	2	98.1228	0.003	2	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a])(H){1|C<4>,2|H<1>,4|C<3>}	98.0841	0.000	1	98.1228	0.003	2	98.1228	0.003	2	98.1228	0.003	2	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	101.6530	0.000	1	101.6530	0.000	1	101.6530	0.000	1	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.3440	0.000	1	101.3440	0.000	1	101.2131	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	100.6940	0.000	1	101.1735	0.460	2	101.2131	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.6530	0.000	1	101.1735	0.460	2	101.2131	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.3030	0.214	2	101.3030	0.046	2	101.2131	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	101.1552	0.273	4	101.1552	0.075	4	101.2131	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	101.3570	0.000	2	101.3570	0.000	2	101.3390	0.001	3	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|C<2>,4|C<3>}	101.3030	0.000	1	101.3030	0.000	1	101.3390	0.001	3	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	101.3640	0.000	1	101.4082	0.174	5	101.3812	0.144	6	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	101.0725	0.050	2	101.4082	0.174	5	101.3812	0.144	6	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	101.4410	0.000	1	101.4082	0.174	5	101.3812	0.144	6	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	102.0910	0.000	1	101.4082	0.174	5	101.3812	0.144	6	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	101.2460	0.000	1	101.2460	0.000	1	101.3812	0.144	6	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	100.5470	0.000	1	100.5025	0.004	2	100.5025	0.004	2	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	100.4580	0.000	1	100.5025	0.004	2	100.5025	0.004	2	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	101.9670	0.000	1	101.9670	0.000	1	101.5045	0.127	8	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	101.4010	0.000	1	101.4010	0.000	1	101.5045	0.127	8	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,4|C<3>}	101.0155	0.199	2	101.0155	0.039	2	101.5045	0.127	8	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.6593	0.134	4	101.6593	0.018	4	101.5045	0.127	8	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	101.8720	0.213	4	101.8720	0.045	4	102.0097	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	101.7525	0.025	2	101.7525	0.001	2	102.0097	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	102.4120	0.000	1	102.3647	0.026	3	102.0097	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	102.3410	0.219	2	102.3647	0.026	3	102.0097	0.097	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	101.6220	0.000	1	101.2850	0.227	2	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	100.9480	0.000	1	101.2850	0.227	2	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	101.5740	0.000	1	101.6393	0.009	4	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	101.7200	0.000	1	101.6393	0.009	4	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	101.7230	0.000	1	101.6393	0.009	4	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	101.5400	0.000	1	101.6393	0.009	4	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	102.0367	0.090	3	102.0367	0.008	3	101.6930	0.121	9	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	100.9620	0.000	1	100.9620	0.000	1	100.9620	0.000	1	101.5042	0.213	48	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,6|C<3>}	100.8805	0.301	2	100.8805	0.090	2	100.8805	0.090	2	100.8805	0.090	2	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:2:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O){2|C<3>,2|N<3>,5|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	101.8125	0.359	2	101.8125	0.129	2	101.8125	0.129	2	101.8125	0.129	2	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(O){2|H<1>,4|C<3>}	103.0050	0.000	1	103.0050	0.000	1	103.0050	0.000	1	103.0050	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6])	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	100.6020	0.000	1	100.6020	0.000	1	100.6020	0.000	1	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	101.8130	0.000	1	101.8130	0.000	1	101.8130	0.000	1	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6])	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.0755	0.279	2	102.0755	0.078	2	102.0755	0.078	2	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.3440	0.000	1	102.3440	0.000	1	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.6160	0.000	1	102.4680	0.044	2	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	102.3200	0.000	1	102.4680	0.044	2	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.4520	0.000	1	102.4520	0.000	1	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	102.1055	0.064	2	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	101.9440	0.000	1	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	102.2503	0.189	3	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	101.8100	0.000	1	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	101.2610	0.000	1	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	101.2070	0.000	1	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	101.4560	0.000	1	101.8640	0.179	10	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	102.4060	0.000	1	102.4060	0.000	1	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	102.0215	0.305	2	102.0215	0.093	2	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6]){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	101.3700	0.000	1	101.3700	0.000	1	102.0106	0.191	18	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	101.8020	0.812	2	101.8020	0.659	2	101.8020	0.659	2	101.9317	0.259	24	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	101.6530	0.000	1	101.6530	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	100.9690	0.000	1	100.9690	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.4290	0.000	1	101.4290	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	101.7500	0.000	1	101.7500	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.3650	0.000	1	102.1850	0.033	6	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.0850	0.000	1	102.1850	0.033	6	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.0740	0.000	1	102.1850	0.033	6	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.1953	0.234	3	102.1850	0.033	6	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	102.2680	0.000	1	102.2680	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	102.0350	0.000	1	102.0350	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	101.7500	0.000	1	101.7500	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	102.0750	0.000	1	102.0750	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	101.5030	0.000	1	101.5030	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	101.1530	0.000	1	101.3875	0.110	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	101.6220	0.000	1	101.3875	0.110	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.6450	0.000	1	101.6450	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	101.7060	0.000	1	101.7060	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	101.8360	0.000	1	102.0218	0.038	5	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	102.0937	0.227	3	102.0218	0.038	5	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	101.9920	0.000	1	102.0218	0.038	5	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	102.1440	0.000	1	102.1440	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	101.4910	0.000	1	101.6280	0.038	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	101.7650	0.000	1	101.6280	0.038	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	101.4810	0.000	1	101.4810	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.6360	0.000	1	101.4730	0.053	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	101.3100	0.000	1	101.4730	0.053	2	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	101.7680	0.000	1	101.7680	0.000	1	101.8185	0.127	31	101.8185	0.127	31	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	101.5810	0.000	1	101.5990	0.001	2	101.5990	0.001	2	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	101.6170	0.000	1	101.5990	0.001	2	101.5990	0.001	2	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	101.1770	0.547	2	101.1770	0.300	2	101.5643	0.276	6	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	101.9370	0.000	1	101.9370	0.000	1	101.5643	0.276	6	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	101.1570	0.000	1	101.1570	0.000	1	101.5643	0.276	6	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	101.6990	0.000	1	101.6990	0.000	1	101.5643	0.276	6	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	102.2390	0.000	1	102.2390	0.000	1	101.5643	0.276	6	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	101.0060	0.684	2	101.0060	0.469	2	101.0060	0.469	2	101.4596	0.263	10	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a]){1|N<3>,2|H<1>,8|C<3>}	99.7813	0.000	1	99.7813	0.000	1	99.7813	0.000	1	99.7813	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){2|C<4>,3|C<3>,3|H<1>}	98.9007	0.000	1	98.9007	0.000	1	98.8397	0.007	2	100.3267	1.010	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a])(H){1|C<4>,3|H<1>,4|C<3>}	98.7787	0.000	1	98.7787	0.000	1	98.8397	0.007	2	100.3267	1.010	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	100.6080	0.000	1	100.6080	0.000	1	100.8223	0.233	6	100.3267	1.010	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){1|C<4>,2|H<1>,5|C<3>}	100.6458	0.220	4	100.8652	0.277	5	100.8223	0.233	6	100.3267	1.010	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	101.7430	0.000	1	100.8652	0.277	5	100.8223	0.233	6	100.3267	1.010	8	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H){2|C<4>,4|C<3>,4|H<1>}	100.6700	0.000	1	100.6700	0.000	1	100.6700	0.000	1	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	101.9320	0.305	2	101.9320	0.093	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.8610	0.000	1	101.7440	0.529	5	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.7147	0.836	4	101.7440	0.529	5	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	102.0665	0.093	2	102.0665	0.009	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.2130	0.000	1	102.2740	0.007	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	102.3350	0.000	1	102.2740	0.007	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	101.9325	0.363	2	101.9343	0.066	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	101.9380	0.000	1	101.9343	0.066	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	101.8040	0.000	1	101.8040	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|C<2>,2|H<1>,4|C<3>}	101.8890	0.000	1	101.8890	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	102.9450	0.000	1	102.9450	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	101.4160	0.000	1	101.4160	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	101.9280	0.000	1	101.7285	0.080	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	101.5290	0.000	1	101.7285	0.080	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	102.3580	0.000	1	102.3580	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.7250	0.000	1	101.7250	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.8870	0.000	1	101.8870	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	101.9500	0.000	1	101.8687	0.088	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.8280	0.409	2	101.8687	0.088	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	102.5610	0.000	1	101.8887	0.395	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	101.7890	0.000	1	101.8887	0.395	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	101.3160	0.000	1	101.8887	0.395	3	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	101.2080	0.000	1	101.2080	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	100.8340	0.000	2	100.8340	0.000	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	100.5800	0.000	1	100.9335	0.250	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.2870	0.000	1	100.9335	0.250	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	101.9540	0.000	1	101.9540	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,5|C<3>}	101.2090	0.000	1	101.2090	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.6040	0.000	1	102.3885	0.093	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	102.1730	0.000	1	102.3885	0.093	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	101.0680	0.000	1	101.0680	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	102.0360	0.000	1	102.0360	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	102.0730	0.000	1	102.0730	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	101.3910	0.000	1	101.7855	0.311	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	102.1800	0.000	1	101.7855	0.311	2	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	101.3580	0.000	1	101.3580	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	102.3820	0.000	1	102.3820	0.000	1	101.7998	0.286	45	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	102.5090	0.000	1	102.5090	0.000	1	102.5090	0.000	1	101.7909	0.312	47	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	100.8570	0.000	1	100.8570	0.000	1	100.8570	0.000	1	100.8570	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:2:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	99.8028	0.000	1	99.8028	0.000	1	99.8028	0.000	1	99.8028	0.000	1	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	100.9745	0.315	2	100.9745	0.099	2	100.9745	0.099	2	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.9695	0.036	2	101.9695	0.001	2	102.1305	0.183	6	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.9600	0.000	1	101.9600	0.000	1	102.1305	0.183	6	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	101.6670	0.000	1	101.6670	0.000	1	102.1305	0.183	6	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.8910	0.000	1	102.8910	0.000	1	102.1305	0.183	6	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|N<3>,3|C<3>}	102.3260	0.000	1	102.3260	0.000	1	102.1305	0.183	6	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	103.4860	0.000	1	103.4860	0.000	1	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	103.0030	0.000	1	103.0030	0.000	1	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.9885	0.124	2	101.9885	0.015	2	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	102.3060	0.000	1	102.3060	0.000	1	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O){2|C<4>,4|C<3>,9|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	102.0110	0.000	1	102.0110	0.000	1	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	3:4:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	102.1740	0.000	1	102.1740	0.000	1	102.4224	0.351	7	102.1126	0.456	15	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	3:4:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	101.3420	0.222	4	101.3420	0.049	4	101.3420	0.049	4	101.3420	0.049	4	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	101.7670	0.000	1	101.7670	0.000	1	101.7670	0.000	1	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|C<4>,2|N<3>,4|C<3>}	102.7630	0.000	1	102.7630	0.000	1	101.1116	0.429	12	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	100.6490	0.544	2	100.9030	0.134	5	101.1116	0.429	12	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	101.1220	0.098	2	100.9030	0.134	5	101.1116	0.429	12	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	100.9730	0.000	1	100.9030	0.134	5	101.1116	0.429	12	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,4|C<3>}	101.0102	0.486	6	101.0102	0.236	6	101.1116	0.429	12	101.1620	0.427	13	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	101.6940	0.000	1	101.6940	0.000	1	101.6940	0.000	1	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	101.5680	0.000	1	101.5680	0.000	1	101.5680	0.000	1	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	101.2055	0.189	2	101.2055	0.036	2	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	102.4980	0.000	1	102.4980	0.000	1	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	101.6030	0.000	1	101.3917	0.066	3	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	101.1060	0.000	1	101.3917	0.066	3	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	101.4660	0.000	1	101.3917	0.066	3	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.9913	0.243	3	101.9913	0.059	3	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	101.5540	0.007	2	101.5540	0.000	2	101.6515	0.197	11	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	101.7892	0.430	14	101.4968	0.519	341	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6]	3:3:1:1:	3:3:4:	3:4:4:	C[5,5a]-3:C[5,6]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	99.4403	0.000	1	99.4403	0.000	1	99.4403	0.000	1	99.4403	0.000	1	99.4403	0.000	1	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	101.2890	0.000	1	101.2890	0.000	1	101.2890	0.000	1	101.2860	0.000	2	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	101.2830	0.000	1	101.2830	0.000	1	101.2830	0.000	1	101.2860	0.000	2	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:4:1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O){1|C<3>,1|N<3>}	101.6200	0.054	3	101.6200	0.003	3	101.6200	0.003	3	101.6200	0.003	3	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:4:3:	C[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){1|H<1>,6|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN){4|C<3>}	103.1570	0.441	5	103.1570	0.194	5	103.1570	0.194	5	103.1570	0.194	5	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO){1|N<3>,3|C<3>}	99.6883	0.000	1	99.6883	0.000	1	99.6883	0.000	1	99.6883	0.000	1	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	98.2428	0.000	1	98.2428	0.000	1	98.2428	0.000	1	98.2428	0.000	1	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C){1|S<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H){1|H<1>,1|S<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H){1|S<2>,5|C<3>}	100.6290	0.000	1	100.6290	0.000	1	100.6290	0.000	1	100.6290	0.000	1	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:1:	3:3:4:	3:4:3:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	99.7017	0.000	1	99.7017	0.000	1	99.7017	0.000	1	99.7017	0.000	1	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	98.8958	0.000	1	98.8958	0.000	1	98.8958	0.000	1	98.2444	0.306	5	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){2|C<3>,2|O<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	98.0816	0.481	4	98.0816	0.232	4	98.0816	0.232	4	98.2444	0.306	5	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:4:	3:3:4:	4:4:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O){1|C<3>,1|N<3>}	99.0164	0.091	4	99.0164	0.008	4	99.0164	0.008	4	99.0164	0.008	4	100.3812	3.757	23	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:1:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	100.8802	0.266	4	100.8802	0.071	4	100.8802	0.071	4	100.8802	0.071	4	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	101.2860	0.000	1	101.2860	0.000	1	101.2860	0.000	1	101.2860	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5,5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	100.3650	0.512	2	100.3650	0.262	2	100.3650	0.262	2	100.3650	0.262	2	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	98.8729	0.098	2	98.8729	0.010	2	98.8729	0.010	2	98.8729	0.010	2	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	100.7085	0.036	2	100.7085	0.001	2	100.7085	0.001	2	100.7085	0.001	2	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:2:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	100.0765	0.436	2	100.0765	0.190	2	100.0765	0.190	2	100.0765	0.190	2	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	99.2791	0.000	1	99.2791	0.000	1	99.2791	0.000	1	99.2791	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	99.5167	0.000	1	99.5167	0.000	1	99.5167	0.000	1	99.5167	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	101.1380	0.000	1	101.1380	0.000	1	101.1380	0.000	1	101.1380	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	101.2880	0.000	1	101.2880	0.000	1	101.2880	0.000	1	101.2880	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:4:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC){6|C<3>}	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	100.3388	0.641	18	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	102.7580	0.000	1	102.7580	0.000	1	102.3183	0.151	3	102.3575	0.107	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	102.0985	0.114	2	102.0985	0.013	2	102.3183	0.151	3	102.3575	0.107	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	102.4750	0.000	1	102.4750	0.000	1	102.4750	0.000	1	102.3575	0.107	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	103.1610	0.016	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.1610	0.016	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	100.1285	0.021	2	100.1285	0.000	2	100.1285	0.000	2	102.3087	3.080	6	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	103.5390	0.000	2	103.5390	0.000	2	103.3988	0.380	4	102.3087	3.080	6	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	103.2585	1.030	2	103.2585	1.061	2	103.3988	0.380	4	102.3087	3.080	6	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:2:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.3625	0.132	2	101.3625	0.017	2	101.3625	0.017	2	101.3625	0.017	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	101.5090	0.000	1	101.5090	0.000	1	101.6275	0.028	2	101.6275	0.028	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	101.7460	0.000	1	101.7460	0.000	1	101.6275	0.028	2	101.6275	0.028	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	101.3540	0.000	1	101.3540	0.000	1	101.3540	0.000	1	101.3540	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	102.4700	0.000	1	102.2180	0.075	3	102.2180	0.075	3	102.2180	0.075	3	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	101.9280	0.000	1	102.2180	0.075	3	102.2180	0.075	3	102.2180	0.075	3	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	102.2560	0.000	1	102.2180	0.075	3	102.2180	0.075	3	102.2180	0.075	3	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5,6]-3:N[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	100.9710	0.000	1	100.9710	0.000	1	100.9710	0.000	1	100.9710	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:O[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	99.9514	0.010	2	99.9514	0.000	2	99.9514	0.000	2	99.9514	0.000	2	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.6610	0.000	1	101.6610	0.000	1	101.6610	0.000	1	101.6610	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	102.2810	0.000	1	102.2810	0.000	1	102.2810	0.000	1	102.2810	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:3:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	100.2480	0.000	1	100.2480	0.000	1	100.2480	0.000	1	100.2480	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	101.3560	0.000	1	101.3560	0.000	1	101.2445	0.025	2	101.1815	0.014	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	101.1330	0.000	1	101.1330	0.000	1	101.2445	0.025	2	101.1815	0.014	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	101.1320	0.000	1	101.1185	0.000	2	101.1185	0.000	2	101.1815	0.014	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	101.1050	0.000	1	101.1185	0.000	2	101.1185	0.000	2	101.1815	0.014	4	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:4:	3:4:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	101.6170	0.000	1	101.6170	0.000	1	101.6170	0.000	1	101.6170	0.000	1	101.8234	1.218	32	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O){1|H<1>,2|C<3>,2|C<4>}	103.4680	0.000	1	103.4680	0.000	1	103.4680	0.000	1	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	102.3718	0.163	4	102.3718	0.027	4	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>}	102.6150	0.000	1	102.6150	0.000	1	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	102.6460	0.412	2	102.6090	0.089	3	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	102.5350	0.000	1	102.6090	0.089	3	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	102.6840	0.000	1	102.6840	0.000	1	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H){1|C<6>,2|C<3>,4|B<6>}	103.0490	0.000	1	103.0490	0.000	1	102.5662	0.074	10	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	103.1860	0.089	2	103.1860	0.008	2	103.4327	0.065	13	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O){1|O<2>,2|C<3>,2|C<4>}	103.3530	0.000	1	103.3530	0.000	1	103.4327	0.065	13	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	103.3850	0.000	1	103.4900	0.068	10	103.4327	0.065	13	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	102.9800	0.000	1	103.4900	0.068	10	103.4327	0.065	13	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	103.5669	0.206	8	103.4900	0.068	10	103.4327	0.065	13	103.0731	0.255	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO){4|C<3>}	103.4170	0.000	1	103.4170	0.000	1	103.4170	0.000	1	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	103.6325	0.255	4	103.6325	0.065	4	103.6325	0.065	4	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	104.0400	0.000	1	104.0400	0.000	1	104.0400	0.000	1	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO){4|C<3>}	101.6550	0.000	1	101.6550	0.000	1	101.6550	0.000	1	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	103.8520	0.000	2	103.8520	0.000	2	103.8520	0.000	2	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	102.7760	0.000	1	102.7760	0.000	1	102.7760	0.000	1	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	103.1730	0.000	1	103.1730	0.000	1	103.3505	0.063	2	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	103.5280	0.000	1	103.5280	0.000	1	103.3505	0.063	2	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	P[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|H<1>,1|P<3>,4|C<3>}	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	103.4670	0.449	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	103.5490	0.000	1	103.5490	0.000	1	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	104.4530	0.000	1	104.4530	0.000	1	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C){1|N<3>,3|C<3>}	103.7760	0.000	1	103.7760	0.000	1	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	102.4280	0.000	1	102.4280	0.000	1	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	103.7990	0.000	1	103.7990	0.000	1	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	103.5017	0.232	3	103.5017	0.054	3	103.5637	0.329	8	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	104.5760	0.042	2	104.5760	0.002	2	104.5760	0.002	2	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO){4|C<3>}	101.8300	0.000	1	101.8300	0.000	1	101.8300	0.000	1	103.5902	0.735	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	101.5680	0.000	1	101.5680	0.000	1	101.9732	0.065	6	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	102.0542	0.180	5	102.0542	0.032	5	101.9732	0.065	6	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a])(O){2|C<3>}	103.8550	0.000	1	103.8550	0.000	1	103.5180	0.227	2	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a])(O){2|C<3>}	103.1810	0.000	1	103.1810	0.000	1	103.5180	0.227	2	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	102.4900	0.000	1	102.4900	0.000	1	102.6185	0.033	2	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	102.7470	0.000	1	102.7470	0.000	1	102.6185	0.033	2	102.4112	0.475	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:S[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3){2|C<3>}	93.1919	0.000	1	93.1919	0.000	1	93.1919	0.000	1	93.1919	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	104.2280	0.021	2	104.0240	0.056	4	104.0240	0.056	4	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	103.8200	0.024	2	104.0240	0.056	4	104.0240	0.056	4	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2{1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	104.1080	0.000	1	104.1080	0.000	1	104.1080	0.000	1	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:Br-1:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br){2|C<3>}	101.1000	0.000	1	101.1000	0.000	1	101.1000	0.000	1	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	102.9770	0.000	1	102.9770	0.000	1	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	102.5440	0.000	1	102.5440	0.000	1	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	102.6629	0.416	7	102.6704	0.149	8	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	102.7230	0.000	1	102.6704	0.149	8	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H){2|C<3>}	99.9101	0.000	1	99.9101	0.000	1	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	102.8940	0.000	1	102.8940	0.000	1	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	103.1325	0.869	2	102.8714	0.287	5	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	102.6973	0.288	3	102.8714	0.287	5	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H){2|C<3>}	102.5870	0.000	1	102.5870	0.000	1	102.5907	0.592	18	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	104.2100	0.000	1	104.2100	0.000	1	103.7908	0.220	4	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	103.6510	0.461	3	103.6510	0.213	3	103.7908	0.220	4	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H){2|C<3>}	101.8300	0.000	1	101.8300	0.000	1	101.8300	0.000	1	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	103.7670	0.190	2	103.6032	0.119	5	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	103.1390	0.000	1	103.6032	0.119	5	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	103.3880	0.000	1	103.6032	0.119	5	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	103.9550	0.000	1	103.6032	0.119	5	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O){2|C<3>}	103.5230	0.000	1	103.2423	0.120	18	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O){2|C<3>}	103.2258	0.349	17	103.2423	0.120	18	103.3207	0.137	23	103.1020	0.621	52	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO){2|C<3>}	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	102.5947	0.745	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr){2|C<3>}	102.9487	0.789	3	102.9487	0.623	3	102.8902	0.692	6	102.5947	0.745	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh){2|C<3>}	104.0410	0.000	1	104.0410	0.000	1	102.8902	0.692	6	102.5947	0.745	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi){2|C<3>}	102.2270	0.000	2	102.2270	0.000	2	102.8902	0.692	6	102.5947	0.745	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr){2|C<3>}	101.7005	0.614	2	101.7005	0.378	2	101.7005	0.378	2	102.5947	0.745	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH){2|C<3>}	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:B-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	104.7480	0.000	1	104.1950	0.612	2	104.1950	0.612	2	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:B-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	103.6420	0.000	1	104.1950	0.612	2	104.1950	0.612	2	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	104.5410	0.000	1	104.5410	0.000	1	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO){2|C<3>}	102.1890	0.000	1	102.1890	0.000	1	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH){2|C<3>}	103.3355	0.114	2	103.3355	0.013	2	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO){2|C<3>}	102.9290	0.000	1	102.9290	0.000	1	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH){2|C<3>}	103.1845	0.059	2	103.1845	0.003	2	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO){2|C<3>}	102.2260	0.000	1	102.2260	0.000	1	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	103.3320	0.000	1	103.1824	0.024	5	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	103.1450	0.149	4	103.1824	0.024	5	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	104.2830	0.000	1	104.2830	0.000	1	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	103.5380	0.016	2	103.4264	0.081	24	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	103.0890	0.189	4	103.4264	0.081	24	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	103.4890	0.266	18	103.4264	0.081	24	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	102.6300	0.000	1	103.2800	0.845	2	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	103.9300	0.000	1	103.2800	0.845	2	103.3478	0.211	40	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	104.0360	0.000	1	104.0360	0.000	1	102.4172	1.793	4	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	102.9680	0.000	1	102.9680	0.000	1	102.4172	1.793	4	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	101.3325	0.320	2	101.3325	0.103	2	102.4172	1.793	4	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	102.2090	0.184	2	102.6523	0.607	3	103.5337	1.483	8	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.5390	0.000	1	102.6523	0.607	3	103.5337	1.483	8	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.1910	1.305	4	104.1910	1.704	4	103.5337	1.483	8	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	103.5490	0.000	1	103.5490	0.000	1	103.5337	1.483	8	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	103.2730	0.485	7	103.2730	0.235	7	103.2730	0.235	7	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC){2|C<3>}	101.5830	0.000	1	101.5830	0.000	1	102.0810	0.194	3	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	102.3300	0.130	2	102.3300	0.017	2	102.0810	0.194	3	103.2877	0.580	65	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	104.2240	0.000	1	104.2240	0.000	1	104.2240	0.000	1	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	103.0930	0.000	1	103.0930	0.000	1	104.1940	2.961	3	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	103.3120	0.000	1	103.3120	0.000	1	104.1940	2.961	3	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	106.1770	0.000	1	106.1770	0.000	1	104.1940	2.961	3	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Cr<9>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr){2|C<3>,2|C<4>,2|H<1>}	104.7520	0.000	1	104.7520	0.000	1	102.8418	1.743	4	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,2|C<4>,2|H<1>}	102.3680	0.453	2	102.2050	0.182	3	102.8418	1.743	4	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,4|C<4>}	101.8790	0.000	1	102.2050	0.182	3	102.8418	1.743	4	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	101.4100	0.000	1	101.4100	0.000	1	101.5604	0.136	14	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC){2|C<3>}	102.0515	0.520	2	102.0515	0.270	2	101.5604	0.136	14	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	101.4616	0.107	8	101.4616	0.011	8	101.5604	0.136	14	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC){2|C<3>}	101.5467	0.648	3	101.5467	0.420	3	101.5604	0.136	14	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO){2|C<3>}	102.3410	0.000	1	102.3410	0.000	1	102.5765	0.111	2	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC){2|C<3>}	102.8120	0.000	1	102.8120	0.000	1	102.5765	0.111	2	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	103.5740	0.000	1	103.5740	0.000	1	103.5740	0.000	1	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	104.7960	0.000	1	104.7960	0.000	1	104.7960	0.000	1	102.5860	2.230	27	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:4:2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu){2|C<3>}	103.1300	0.000	2	103.1300	0.000	2	103.1300	0.000	2	103.1300	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	104.1070	0.000	1	104.1070	0.000	1	104.4100	0.209	5	104.4100	0.209	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2){4|C<3>,4|H<1>}	104.0935	0.180	2	104.0935	0.033	2	104.4100	0.209	5	104.4100	0.209	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.8780	0.267	2	104.8780	0.071	2	104.4100	0.209	5	104.4100	0.209	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O){2|C<3>,2|N<2>}	103.5480	0.000	1	103.5480	0.000	1	103.5480	0.000	1	103.5480	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O){2|C<3>}	103.6280	0.017	2	103.6280	0.000	2	103.6280	0.000	2	103.7935	0.037	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	103.9590	0.023	2	103.9590	0.001	2	103.9590	0.001	2	103.7935	0.037	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	103.5520	0.182	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo){2|C<3>}	103.7280	0.423	2	103.7280	0.179	2	103.7280	0.179	2	103.5520	0.182	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.7560	0.000	1	104.7560	0.000	1	104.7560	0.000	1	104.7560	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH){2|C<3>}	101.2400	0.000	1	101.2400	0.000	1	101.2400	0.000	1	101.2400	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	102.6235	0.200	2	102.6235	0.040	2	102.5413	0.074	4	102.5413	0.074	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O){2|C<3>}	102.7360	0.000	1	102.7360	0.000	1	102.5413	0.074	4	102.5413	0.074	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	102.1820	0.000	1	102.1820	0.000	1	102.5413	0.074	4	102.5413	0.074	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	103.5560	0.000	1	103.5560	0.000	1	102.6552	0.464	4	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO){2|C<3>}	101.9020	0.000	1	101.9020	0.000	1	102.6552	0.464	4	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	102.5570	0.000	1	102.5815	0.001	2	102.6552	0.464	4	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	102.6060	0.000	1	102.5815	0.001	2	102.6552	0.464	4	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.2265	0.449	2	103.2265	0.202	2	103.2265	0.202	2	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	102.8290	0.000	1	102.8290	0.000	1	102.8290	0.000	1	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	101.9050	0.000	1	101.9050	0.000	1	101.9050	0.000	1	102.7260	0.400	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	102.2875	0.008	2	102.2875	0.000	2	102.2875	0.000	2	102.2875	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC){1|C<4>,3|C<3>}	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	103.4878	0.285	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	103.7110	0.000	1	103.7110	0.000	1	103.7110	0.000	1	103.4878	0.285	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:1:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5]C[5,6a]HS)2(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HS)2(CC[6a]C){2|C<3>}	103.1230	0.532	2	103.1230	0.283	2	103.1230	0.283	2	103.4878	0.285	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	101.7720	0.000	1	101.7720	0.000	1	101.7720	0.000	1	102.5090	0.420	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O){4|C<3>}	102.8775	0.156	2	102.8775	0.024	2	102.8775	0.024	2	102.5090	0.420	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.9220	0.000	1	101.9220	0.000	1	102.2535	0.220	2	102.3378	0.382	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.5850	0.000	1	102.5850	0.000	1	102.2535	0.220	2	102.3378	0.382	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO)	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O){2|C<3>}	101.9315	0.008	2	101.9315	0.000	2	101.9315	0.000	2	102.3378	0.382	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:S-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS)	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O){2|C<3>}	103.3190	0.000	1	103.3190	0.000	1	103.3190	0.000	1	102.3378	0.382	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:S-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS)	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O){2|C<3>}	102.3760	0.000	2	102.3760	0.000	2	102.3760	0.000	2	102.3760	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:3:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:S-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS){2|C<3>}	101.9490	0.000	1	101.9490	0.000	1	101.9490	0.000	1	101.9490	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.3680	0.000	1	102.3680	0.000	1	102.3680	0.000	1	102.3680	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:4:	3:3:4:	4:2:2:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a])(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a])(SC[6a]){2|C<3>}	99.5836	0.000	1	99.5836	0.000	1	99.5836	0.000	1	99.5836	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O){2|C<3>}	102.5155	0.216	2	102.5155	0.047	2	102.5155	0.047	2	102.5155	0.047	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H){4|C<3>}	101.4600	0.000	1	101.4600	0.000	1	101.4600	0.000	1	101.4600	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	101.2370	0.000	1	101.2370	0.000	1	101.2370	0.000	1	101.9945	1.148	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	102.7520	0.000	1	102.7520	0.000	1	102.7520	0.000	1	101.9945	1.148	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	102.2960	0.000	1	102.2960	0.000	1	102.2960	0.000	1	102.2960	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a])(O){2|C<3>}	101.6420	0.000	1	101.6420	0.000	1	101.6420	0.000	1	101.6420	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H){2|C<3>}	101.6150	0.000	1	101.6150	0.000	1	101.6150	0.000	1	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.6330	0.000	1	102.7197	0.013	3	102.5165	0.174	4	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.8480	0.000	1	102.7197	0.013	3	102.5165	0.174	4	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.6780	0.000	1	102.7197	0.013	3	102.5165	0.174	4	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	101.9070	0.000	1	101.9070	0.000	1	102.5165	0.174	4	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	102.2277	0.199	3	102.2277	0.040	3	102.2277	0.040	3	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H){4|C<3>}	99.4147	0.000	1	99.4147	0.000	1	99.4147	0.000	1	101.9754	1.081	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	103.3680	0.000	1	103.3680	0.000	1	103.6465	0.155	2	102.4010	2.817	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	103.9250	0.000	1	103.9250	0.000	1	103.6465	0.155	2	102.4010	2.817	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1	102.4010	2.817	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2){2|C<3>}	99.6142	0.000	1	99.6142	0.000	1	99.6142	0.000	1	102.4010	2.817	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN){4|C<3>}	102.2310	0.000	1	102.2310	0.000	1	102.2310	0.000	1	102.4010	2.817	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	103.1660	0.000	1	103.1660	0.000	1	103.1660	0.000	1	103.1660	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	3:4:1:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O){1|C<4>,5|C<3>}	102.6370	0.000	1	102.6370	0.000	1	102.6370	0.000	1	102.6370	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	101.3360	0.000	1	101.3360	0.000	1	101.2918	0.027	5	101.2918	0.027	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	101.2650	0.250	2	101.2807	0.036	4	101.2918	0.027	5	101.2918	0.027	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	101.2965	0.209	2	101.2807	0.036	4	101.2918	0.027	5	101.2918	0.027	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:S[5]-2:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(NO){1|S<2>,3|C<3>}	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){4|C<3>}	102.0200	0.000	1	102.0200	0.000	1	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	101.9240	0.000	1	102.3025	0.287	2	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	102.6810	0.000	1	102.3025	0.287	2	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	102.4360	0.000	1	102.0892	0.054	4	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	101.9420	0.000	1	102.0892	0.054	4	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	102.0030	0.000	1	102.0892	0.054	4	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	101.9760	0.000	1	102.0892	0.054	4	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	101.9210	0.000	1	101.9210	0.000	1	102.1129	0.081	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O){4|C<3>}	102.3130	0.000	1	102.3130	0.000	1	102.3130	0.000	1	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H){1|S<2>,5|C<3>}	101.1690	0.000	1	101.1690	0.000	1	101.1690	0.000	1	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	102.2960	0.000	1	102.4454	0.190	8	102.4454	0.190	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	102.0755	0.639	2	102.4454	0.190	8	102.4454	0.190	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	102.3435	0.077	2	102.4454	0.190	8	102.4454	0.190	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	102.6735	0.295	2	102.4454	0.190	8	102.4454	0.190	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	103.0820	0.000	1	102.4454	0.190	8	102.4454	0.190	8	102.2193	0.206	18	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:Si-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr){2|C<3>}	102.2240	0.000	1	102.2240	0.000	1	102.2240	0.000	1	103.1757	4.722	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	106.4280	0.000	1	106.4280	0.000	1	106.4280	0.000	1	103.1757	4.722	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	101.8910	0.000	1	102.0255	0.036	2	102.0255	0.036	2	103.1757	4.722	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	102.1600	0.000	1	102.0255	0.036	2	102.0255	0.036	2	103.1757	4.722	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	103.4250	0.000	1	103.4250	0.000	1	103.4250	0.000	1	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O){4|C<3>}	101.4080	0.000	1	101.4080	0.000	1	102.3661	0.215	7	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	102.5258	0.209	6	102.5258	0.044	6	102.3661	0.215	7	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	102.7650	0.000	1	102.7650	0.000	1	102.4411	0.074	15	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	102.4460	0.255	13	102.4179	0.071	14	102.4411	0.074	15	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	102.0530	0.000	1	102.4179	0.071	14	102.4411	0.074	15	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS){4|C<3>}	101.0500	0.000	1	101.0500	0.000	1	101.0465	0.000	2	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH){6|C<3>}	101.0430	0.000	1	101.0430	0.000	1	101.0465	0.000	2	102.3479	0.292	25	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	103.3030	0.000	1	103.3030	0.000	1	103.3030	0.000	1	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	102.1890	0.000	1	102.1890	0.000	1	102.2237	0.452	6	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	102.7030	0.000	1	102.7030	0.000	1	102.2237	0.452	6	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	102.9390	0.000	1	102.9390	0.000	1	102.2237	0.452	6	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	101.8370	0.731	3	101.8370	0.535	3	102.2237	0.452	6	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){6|C<3>}	101.0210	0.000	1	101.0210	0.000	1	101.0210	0.000	1	102.2082	0.696	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[4,5]-4:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a]H)(O){1|C<4>,7|C<3>}	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	102.5270	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC){1|C<4>,3|C<3>}	103.8000	0.000	1	103.8000	0.000	1	103.8000	0.000	1	103.8000	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	102.0870	0.000	1	102.0870	0.000	1	102.3355	0.124	2	102.3355	0.124	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO){1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	102.5840	0.000	1	102.5840	0.000	1	102.3355	0.124	2	102.3355	0.124	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	102.8340	0.000	1	102.8340	0.000	1	102.8340	0.000	1	102.8340	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.2250	0.221	2	101.2250	0.049	2	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.1620	0.000	1	101.1620	0.000	1	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.9970	0.000	1	101.9970	0.000	1	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.4360	0.000	1	101.4360	0.000	1	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.5560	0.000	1	102.5560	0.000	1	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.6735	0.204	2	101.6735	0.042	2	101.6185	0.239	8	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	102.1450	0.000	1	102.1450	0.000	1	102.1450	0.000	1	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O){4|C<3>}	101.5390	0.000	1	101.5390	0.000	1	101.5390	0.000	1	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.5050	0.000	1	101.5050	0.000	1	101.5050	0.000	1	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO)	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	102.0820	0.000	1	102.0820	0.000	1	102.0820	0.000	1	101.6849	0.193	12	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	103.2110	0.000	1	102.6125	0.716	2	102.6125	0.716	2	102.6125	0.716	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.0140	0.000	1	102.6125	0.716	2	102.6125	0.716	2	102.6125	0.716	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O){4|C<3>}	100.3520	0.000	1	100.3520	0.000	1	100.3520	0.000	1	100.7100	0.256	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(O[5]C[5,6a])(O){4|C<3>}	101.0680	0.000	1	101.0680	0.000	1	101.0680	0.000	1	100.7100	0.256	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a])(NHH){4|C<3>}	98.5281	0.000	1	98.5281	0.000	1	98.5281	0.000	1	98.5281	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.7770	0.000	1	101.4060	0.275	2	101.4060	0.275	2	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.0350	0.000	1	101.4060	0.275	2	101.4060	0.275	2	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.2020	0.171	2	101.4174	0.113	5	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.3525	0.074	2	101.4174	0.113	5	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.9780	0.000	1	101.4174	0.113	5	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O){6|C<3>}	101.5950	0.000	1	101.5950	0.000	1	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.4780	0.000	1	101.4780	0.000	1	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){4|C<3>}	101.7010	0.000	1	101.7010	0.000	1	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	100.6250	0.000	1	100.6250	0.000	1	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	101.9470	0.000	1	101.9470	0.000	1	101.4433	0.163	10	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	102.1450	0.000	1	102.1450	0.000	1	102.1450	0.000	1	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.9710	0.000	1	101.9710	0.000	1	101.9710	0.000	1	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.6990	0.000	1	101.6990	0.000	1	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	101.5060	0.000	1	101.5060	0.000	1	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	100.6670	0.000	1	100.8770	0.047	3	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	101.1010	0.000	1	100.8770	0.047	3	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	100.8630	0.000	1	100.8770	0.047	3	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	101.4930	0.000	1	101.4930	0.000	1	101.2215	0.167	6	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	102.5950	0.000	1	102.5950	0.000	1	102.9965	0.322	2	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	103.3980	0.000	1	103.3980	0.000	1	102.9965	0.322	2	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	102.3100	0.041	2	102.3100	0.002	2	102.3100	0.002	2	101.6376	0.408	24	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	98.0901	0.000	1	98.0901	0.000	1	98.0901	0.000	1	99.6551	4.898	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	101.2200	0.000	1	101.2200	0.000	1	101.2200	0.000	1	99.6551	4.898	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	101.5920	0.000	1	101.5920	0.000	1	101.5920	0.000	1	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	101.9280	0.000	1	101.9280	0.000	1	101.9280	0.000	1	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	100.9950	0.066	2	100.9950	0.004	2	100.9950	0.004	2	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	99.6901	0.000	1	99.6901	0.000	1	99.6901	0.000	1	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4]){1|H<1>,2|C<4>,4|C<3>}	101.3450	0.000	1	101.3450	0.000	1	101.3450	0.000	1	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	101.8140	0.000	1	101.8140	0.000	1	101.8140	0.000	1	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	101.0830	0.000	1	101.0830	0.000	1	101.4180	0.087	3	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	101.5855	0.071	2	101.5855	0.005	2	101.4180	0.087	3	101.2613	0.414	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	101.9045	0.022	2	101.9045	0.000	2	101.9045	0.000	2	101.9045	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O){8|C<3>}	101.9030	0.000	1	101.9030	0.000	1	101.9030	0.000	1	101.9030	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	102.9860	0.000	1	102.9860	0.000	1	102.9860	0.000	1	102.9860	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:O-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OMg2){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg){1|H<1>,3|C<3>}	100.6090	0.048	2	100.6090	0.002	2	100.6090	0.002	2	100.6090	0.002	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	102.3530	0.000	1	102.3530	0.000	1	102.3530	0.000	1	102.3530	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.0670	0.000	1	101.0670	0.000	1	101.2405	0.060	2	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.4140	0.000	1	101.4140	0.000	1	101.2405	0.060	2	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	100.9380	0.000	1	100.9150	0.001	2	101.0037	0.024	3	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	100.8920	0.000	1	100.9150	0.001	2	101.0037	0.024	3	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.1810	0.000	1	101.1810	0.000	1	101.0037	0.024	3	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.7090	0.000	1	101.7090	0.000	1	101.7090	0.000	1	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	101.7770	0.000	1	101.7770	0.000	1	101.7770	0.000	1	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	101.4735	0.276	2	101.4735	0.076	2	101.4735	0.076	2	101.3250	0.113	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	101.2500	0.000	1	101.2500	0.000	1	101.2500	0.000	1	101.2500	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	99.0822	0.000	1	99.0822	0.000	1	99.0822	0.000	1	99.0822	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O){4|C<3>}	99.9537	0.000	1	99.9537	0.000	1	100.3763	0.099	5	100.1409	0.299	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O){4|C<3>}	100.4820	0.241	4	100.4820	0.058	4	100.3763	0.099	5	100.1409	0.299	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a])(O){6|C<3>}	100.5480	0.000	1	100.5480	0.000	1	100.5480	0.000	1	100.1409	0.299	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O){6|C<3>}	99.3711	0.000	1	99.3711	0.000	1	99.3489	0.001	2	100.1409	0.299	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O){6|C<3>}	99.3267	0.000	1	99.3267	0.000	1	99.3489	0.001	2	100.1409	0.299	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	101.4020	0.000	1	101.4020	0.000	1	101.4020	0.000	1	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[4]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[4]C[4]2)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[4]C[4]2)(CNO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	101.8930	0.000	1	101.8930	0.000	1	101.8930	0.000	1	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	101.1445	0.255	2	101.1445	0.065	2	101.1445	0.065	2	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.3875	0.158	2	101.3875	0.025	2	101.5530	0.029	5	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.6610	0.000	2	101.6610	0.000	2	101.5530	0.029	5	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	101.6680	0.000	1	101.6680	0.000	1	101.5530	0.029	5	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	101.5070	0.000	1	101.5070	0.000	1	101.3380	0.057	2	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O){2|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O){6|C<3>}	101.1690	0.000	1	101.1690	0.000	1	101.3380	0.057	2	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	100.6060	0.000	1	100.6060	0.000	1	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.3620	0.192	2	101.3620	0.037	2	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.6400	0.000	1	101.6400	0.000	1	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.0760	0.000	1	101.0760	0.000	1	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.8695	0.185	2	101.7067	0.054	4	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.4410	0.000	1	101.7067	0.054	4	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.6470	0.000	1	101.7067	0.054	4	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.6720	0.000	1	102.1340	0.427	2	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	102.5960	0.000	1	102.1340	0.427	2	101.5583	0.260	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	100.0800	0.082	2	100.2377	0.078	3	100.2377	0.078	3	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	100.5530	0.000	1	100.2377	0.078	3	100.2377	0.078	3	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	102.0750	0.000	1	102.0750	0.000	1	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	100.6870	0.000	1	100.9147	0.080	3	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.0285	0.288	2	100.9147	0.080	3	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.8700	0.000	1	101.8700	0.000	1	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.7830	0.588	2	101.7830	0.346	2	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O){4|C<3>}	101.1030	0.000	1	101.1030	0.000	1	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	101.3777	0.181	3	101.3777	0.033	3	101.4083	0.234	11	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H){8|C<3>}	100.6070	0.000	1	100.6070	0.000	1	100.6070	0.000	1	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	101.3547	0.142	3	101.4848	0.056	5	100.9655	0.304	12	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	101.6800	0.238	2	101.4848	0.056	5	100.9655	0.304	12	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.7035	0.555	2	100.7027	0.154	3	100.9655	0.304	12	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.7010	0.000	1	100.7027	0.154	3	100.9655	0.304	12	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	100.5135	0.382	4	100.5135	0.146	4	100.9655	0.304	12	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:P[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(P[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H){1|Ru<6>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Ru<6>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(P[5]C[5,6a]Ru)(H){6|C<3>}	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	102.1320	0.000	1	102.1320	0.000	1	102.1320	0.000	1	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	102.0400	0.000	1	102.0400	0.000	1	101.8170	0.049	3	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	101.5990	0.000	1	101.7055	0.023	2	101.8170	0.049	3	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	101.8120	0.000	1	101.7055	0.023	2	101.8170	0.049	3	101.3730	0.574	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	100.8770	0.000	1	100.8770	0.000	1	100.8770	0.000	1	100.8770	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	100.6920	0.000	1	100.6920	0.000	1	100.6920	0.000	1	101.0610	0.272	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH){6|C<3>}	101.4300	0.000	1	101.4300	0.000	1	101.4300	0.000	1	101.0610	0.272	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3){6|C<3>}	100.0586	0.111	3	100.0586	0.012	3	100.0586	0.012	3	100.0586	0.012	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:4:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]O)(O){8|C<3>}	101.0650	0.000	1	101.0650	0.000	1	101.0650	0.000	1	101.0650	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	100.8890	0.793	2	100.8890	0.629	2	100.8890	0.629	2	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	101.1740	0.000	1	101.1665	0.000	2	101.3170	0.068	3	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	101.1590	0.000	1	101.1665	0.000	2	101.3170	0.068	3	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	101.6180	0.000	1	101.6180	0.000	1	101.3170	0.068	3	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O){1|N<2>,5|C<3>}	102.0080	0.000	1	102.0080	0.000	1	102.0080	0.000	1	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O){1|N<2>,5|C<3>}	101.5750	0.000	1	101.5750	0.000	1	101.5750	0.000	1	101.3303	0.279	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	101.0890	0.000	1	101.0890	0.000	1	101.0890	0.000	1	101.0890	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	101.7110	0.752	2	101.7110	0.566	2	102.2262	0.290	8	102.2262	0.290	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	102.3980	0.389	6	102.3980	0.152	6	102.2262	0.290	8	102.2262	0.290	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn){1|H<1>,3|C<3>}	102.0270	0.000	1	102.0270	0.000	1	102.0270	0.000	1	102.0270	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	101.4800	0.000	1	101.4800	0.000	1	100.0632	4.015	2	100.0632	4.015	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	98.6464	0.000	1	98.6464	0.000	1	100.0632	4.015	2	100.0632	4.015	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7865	0.268	2	101.7865	0.072	2	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.4770	0.000	1	101.3690	0.023	2	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.2610	0.000	1	101.3690	0.023	2	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9170	0.000	1	101.9170	0.000	1	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9780	0.000	1	101.9780	0.000	1	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.7700	0.000	1	101.7700	0.000	1	101.7109	0.076	7	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	100.6430	0.000	1	100.6430	0.000	1	101.4515	1.307	2	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O){1|C<4>,1|N<2>,2|C<3>}	102.2600	0.000	1	102.2600	0.000	1	101.4515	1.307	2	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	100.5860	0.000	1	100.5860	0.000	1	101.3474	0.581	5	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	101.3060	0.000	1	101.3060	0.000	1	101.3474	0.581	5	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	100.8220	0.000	1	100.8220	0.000	1	101.3474	0.581	5	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	102.0115	0.766	2	102.0115	0.586	2	101.3474	0.581	5	101.5440	0.346	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	98.8327	0.000	1	98.8327	0.000	1	98.8327	0.000	1	98.8327	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O){4|C<3>}	100.8313	0.305	3	100.8313	0.093	3	100.8313	0.093	3	100.7214	0.190	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(O){4|C<3>}	101.4450	0.000	1	101.4450	0.000	1	101.4450	0.000	1	100.7214	0.190	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	100.2450	0.000	1	100.2450	0.000	1	100.4580	0.102	4	100.7214	0.190	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	100.7075	0.235	2	100.7075	0.055	2	100.4580	0.102	4	100.7214	0.190	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	100.1720	0.000	1	100.1720	0.000	1	100.4580	0.102	4	100.7214	0.190	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(CCO){4|C<3>}	98.3826	0.000	1	98.3826	0.000	1	98.3826	0.000	1	98.3826	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){4|C<3>}	102.1410	0.000	1	102.1410	0.000	1	102.1410	0.000	1	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	100.7070	0.264	2	100.7070	0.070	2	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.1350	0.000	1	101.1350	0.000	1	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2470	0.000	1	101.2470	0.000	1	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.0730	0.000	1	101.0730	0.000	1	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	101.1050	0.126	2	101.1050	0.016	2	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	100.5835	0.064	2	100.5835	0.004	2	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	101.6480	0.000	1	101.6480	0.000	1	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	101.4620	0.000	1	101.4620	0.000	1	101.0324	0.134	11	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H){6|C<3>}	100.2410	0.000	1	100.2410	0.000	1	100.2080	0.002	2	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H){6|C<3>}	100.1750	0.000	1	100.1750	0.000	1	100.2080	0.002	2	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	100.5412	0.651	3	100.5412	0.424	3	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	100.2830	0.246	2	100.2830	0.061	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.7310	0.000	1	101.7310	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.5060	0.000	1	101.5814	0.217	5	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2580	0.000	1	101.5814	0.217	5	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	102.3220	0.000	1	101.5814	0.217	5	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.6840	0.000	1	101.5814	0.217	5	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.1370	0.000	1	101.5814	0.217	5	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	100.9505	0.194	2	100.9505	0.038	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2750	0.682	2	101.2750	0.465	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	102.1800	0.158	2	102.1800	0.025	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	100.8810	0.214	2	100.8810	0.046	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	101.2710	0.000	1	101.2710	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2860	0.000	1	101.3377	0.165	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.1865	0.566	2	101.3377	0.165	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.6920	0.000	1	101.3377	0.165	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.9790	0.000	1	101.9790	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.3720	0.000	1	101.4260	0.006	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.4800	0.000	1	101.4260	0.006	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	100.2710	0.000	1	100.2710	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	102.0220	0.000	1	102.0220	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2640	0.000	1	101.2640	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2440	0.718	2	101.4333	0.221	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.5860	0.000	1	101.4333	0.221	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.6590	0.000	1	101.4333	0.221	4	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O){6|C<3>}	101.6470	0.000	1	101.6470	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.1840	0.000	1	101.1840	0.000	1	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	101.5160	0.000	1	101.7175	0.081	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	101.9190	0.000	1	101.7175	0.081	2	101.3003	0.345	38	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	100.5660	0.000	1	100.5660	0.000	1	101.2825	1.027	2	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	101.9990	0.000	1	101.9990	0.000	1	101.2825	1.027	2	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.4570	0.000	1	101.4570	0.000	1	101.6793	0.040	6	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.4700	0.000	1	101.4700	0.000	1	101.6793	0.040	6	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	101.7725	0.247	2	101.7853	0.031	3	101.6793	0.040	6	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	101.8110	0.000	1	101.7853	0.031	3	101.6793	0.040	6	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	101.7930	0.000	1	101.7930	0.000	1	101.6793	0.040	6	101.2661	0.339	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC){6|C<3>}	99.1594	0.000	1	99.1594	0.000	1	99.1594	0.000	1	99.1594	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	101.0310	0.000	1	101.0310	0.000	1	101.0310	0.000	1	101.2177	0.257	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	100.8310	0.000	1	100.8310	0.000	1	100.8310	0.000	1	101.2177	0.257	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C){4|C<3>}	101.7910	0.000	1	101.7910	0.000	1	101.7910	0.000	1	101.2177	0.257	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br){4|C<3>}	101.5190	0.000	1	101.5190	0.000	1	101.5190	0.000	1	101.5190	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	101.3920	0.000	1	101.3920	0.000	1	101.3920	0.000	1	101.3920	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	3:4:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	102.4050	0.000	1	102.4050	0.000	1	102.4050	0.000	1	102.4050	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O){2|C<3>}	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	100.6765	0.383	2	100.6765	0.146	2	100.6765	0.146	2	100.6765	0.146	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	102.2730	0.346	3	102.2730	0.120	3	102.2730	0.120	3	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.7300	0.000	1	102.8420	0.025	2	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.9540	0.000	1	102.8420	0.025	2	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.6975	0.303	2	102.6975	0.092	2	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O){2|C<3>}	102.4360	0.000	1	102.4360	0.000	1	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	101.9840	0.000	1	101.9840	0.000	1	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	103.0570	0.000	1	102.6235	0.423	4	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.2600	0.856	2	102.6235	0.423	4	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.9170	0.000	1	102.6235	0.423	4	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	102.2092	0.445	4	102.2092	0.198	4	102.4879	0.228	14	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H){2|C<3>}	101.3190	0.065	2	101.3190	0.004	2	101.2933	0.004	3	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H){2|C<3>}	101.2420	0.000	1	101.2420	0.000	1	101.2933	0.004	3	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.2180	0.078	2	101.8640	0.379	3	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	101.1560	0.000	1	101.8640	0.379	3	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.0420	0.000	1	102.0420	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	101.9180	0.000	1	101.9180	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.3570	0.303	3	102.3570	0.092	3	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.5010	0.000	1	102.5010	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.2960	0.000	1	102.2960	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.4425	0.006	2	102.4425	0.000	2	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.3590	0.000	1	102.3590	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.9910	0.000	1	102.9910	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.5880	0.000	1	102.5880	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.2645	0.248	2	101.9970	0.245	3	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	101.4620	0.000	1	101.9970	0.245	3	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.9560	0.000	1	102.9560	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.7600	0.000	1	102.7600	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.5570	0.000	1	102.5570	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	102.7430	0.000	1	102.7430	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.5110	0.049	2	102.5110	0.002	2	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	101.5710	0.000	1	101.5710	0.000	1	102.3137	0.195	25	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	103.0910	0.000	1	103.0910	0.000	1	103.0910	0.000	1	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O){2|C<3>}	102.8680	0.000	1	102.8680	0.000	1	102.8680	0.000	1	102.3262	0.268	47	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	102.3320	0.000	1	102.3320	0.000	1	102.3320	0.000	1	102.3320	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	100.0420	0.000	1	100.0420	0.000	1	100.0420	0.000	1	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	102.3750	0.403	3	102.3750	0.162	3	102.3115	0.124	4	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	102.1210	0.000	1	102.1210	0.000	1	102.3115	0.124	4	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH){2|C<3>}	102.3930	0.000	1	102.3930	0.000	1	102.3930	0.000	1	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN){2|C<3>}	102.6780	0.000	1	102.6780	0.000	1	102.7500	0.010	2	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC){2|C<3>}	102.8220	0.000	1	102.8220	0.000	1	102.7500	0.010	2	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	101.8000	0.000	2	101.8000	0.000	2	101.6875	0.017	4	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	101.5750	0.000	2	101.5750	0.000	2	101.6875	0.017	4	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.4120	0.000	1	101.4120	0.000	1	101.4120	0.000	1	101.9495	0.553	13	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	102.1510	0.352	2	102.1510	0.124	2	102.1510	0.124	2	102.1946	1.255	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO){2|C<3>}	100.4570	0.000	1	100.4570	0.000	1	100.4570	0.000	1	102.1946	1.255	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3){2|C<3>}	103.4290	0.000	1	103.4290	0.000	1	103.4290	0.000	1	102.1946	1.255	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	102.7850	0.000	1	102.7850	0.000	1	102.7850	0.000	1	102.1946	1.255	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:3:4:	4:4:2:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HP)(ORu){2|C<3>}	103.8260	0.000	2	103.8260	0.000	2	103.8260	0.000	2	103.8260	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O){2|C<3>}	103.6780	0.000	1	103.6780	0.000	1	103.6780	0.000	1	103.6175	0.786	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	102.8070	0.096	2	102.8070	0.009	2	102.9293	0.050	3	103.6175	0.786	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	103.1740	0.000	1	103.1740	0.000	1	102.9293	0.050	3	103.6175	0.786	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H){2|C<3>}	104.6195	0.631	2	104.6195	0.399	2	104.6195	0.399	2	103.6175	0.786	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	101.1990	0.000	1	101.1990	0.000	1	101.1990	0.000	1	102.4163	0.318	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	102.2770	0.000	1	102.2770	0.000	1	102.2770	0.000	1	102.4163	0.318	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2){2|C<3>}	102.6580	0.082	4	102.6580	0.007	4	102.6580	0.007	4	102.4163	0.318	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	102.4163	0.318	7	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	102.7107	0.200	3	102.7107	0.040	3	102.7107	0.040	3	102.7107	0.040	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:1:	3:4:3:	4:4:2:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	100.0340	0.000	1	100.0340	0.000	1	100.0340	0.000	1	100.0340	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	102.3175	0.036	2	102.3175	0.001	2	102.3175	0.001	2	102.3175	0.001	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	99.4481	0.000	1	99.4481	0.000	1	99.4481	0.000	1	98.7756	0.403	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5a]-3:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	98.4393	0.358	2	98.4393	0.128	2	98.4393	0.128	2	98.7756	0.403	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	102.5430	0.000	1	102.5430	0.000	1	102.6525	0.024	2	101.2401	5.997	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	102.7620	0.000	1	102.7620	0.000	1	102.6525	0.024	2	101.2401	5.997	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5a]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	98.4152	0.000	1	98.4152	0.000	1	98.4152	0.000	1	101.2401	5.997	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O){2|C<3>}	101.9830	0.000	2	101.9830	0.000	2	101.9830	0.000	2	101.9830	0.000	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3){2|C<3>}	101.0235	0.268	2	101.0235	0.072	2	101.0235	0.072	2	101.0235	0.072	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.3950	0.000	1	101.3950	0.000	1	101.3950	0.000	1	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	101.9720	0.000	1	101.9720	0.000	1	101.9720	0.000	1	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.8410	0.000	1	101.8410	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.2705	0.255	2	101.2705	0.065	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.5443	0.079	3	101.5443	0.006	3	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.7060	0.000	1	101.8305	0.031	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.9550	0.000	1	101.8305	0.031	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.2680	0.000	1	101.2680	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.0830	0.000	1	102.0830	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.2260	0.000	1	102.2260	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.4155	0.110	2	101.6682	0.066	11	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.6767	0.240	7	101.6682	0.066	11	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.6950	0.000	1	101.6682	0.066	11	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.0870	0.000	1	101.6682	0.066	11	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.4185	0.108	2	101.4321	0.061	14	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.4344	0.266	12	101.4321	0.061	14	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	100.9170	0.000	1	100.9170	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.0255	0.077	2	101.0255	0.006	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	100.9500	0.000	1	100.9500	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.6620	0.339	2	101.6620	0.115	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.8470	0.000	1	101.8470	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	103.2880	0.000	1	103.2880	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.6390	0.000	1	101.9883	0.158	12	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.7878	0.394	4	101.9883	0.158	12	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.3120	0.000	1	101.9883	0.158	12	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.1263	0.393	6	101.9883	0.158	12	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.6630	0.000	1	101.6630	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.0910	0.000	1	102.0910	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.9000	0.000	1	101.9000	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.5860	0.854	2	101.5860	0.730	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.7910	0.284	2	101.7910	0.081	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.4970	0.000	1	102.4970	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	102.0570	0.000	1	102.0570	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.5845	0.566	4	101.5845	0.320	4	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	102.2870	0.000	1	102.2870	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.8390	0.000	1	102.8390	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.1540	0.000	2	102.1540	0.000	2	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O){2|C<3>}	102.8050	0.000	1	102.8050	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	102.0760	0.158	4	102.0760	0.025	4	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	102.0260	0.000	1	101.6857	0.177	3	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.2160	0.000	1	101.6857	0.177	3	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	101.8150	0.000	1	101.6857	0.177	3	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.4355	0.558	2	102.1490	0.210	5	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	101.9580	0.359	3	102.1490	0.210	5	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	102.3370	0.000	1	102.3370	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	102.1140	0.000	1	102.1140	0.000	1	101.7839	0.231	88	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O){2|C<3>}	102.8240	0.000	1	102.8240	0.000	1	102.8240	0.000	1	101.7932	0.237	91	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	99.3203	0.000	1	99.3203	0.000	1	99.3203	0.000	1	100.5084	1.179	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	100.7560	0.000	1	100.7560	0.000	1	101.1025	0.240	2	100.5084	1.179	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	101.4490	0.000	1	101.4490	0.000	1	101.1025	0.240	2	100.5084	1.179	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	102.3560	0.000	1	102.6510	0.174	2	102.6270	0.089	3	102.3572	0.232	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	102.9460	0.000	1	102.6510	0.174	2	102.6270	0.089	3	102.3572	0.232	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	102.5790	0.000	1	102.5790	0.000	1	102.6270	0.089	3	102.3572	0.232	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	101.9525	0.452	2	101.9525	0.204	2	101.9525	0.204	2	102.3572	0.232	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	102.2140	0.000	1	102.2140	0.000	1	102.2140	0.000	1	102.2140	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	100.8850	0.000	1	100.8850	0.000	1	101.0870	0.031	3	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	101.2030	0.000	1	101.2030	0.000	1	101.0870	0.031	3	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	101.1730	0.000	1	101.1730	0.000	1	101.0870	0.031	3	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	101.0530	0.000	1	101.0530	0.000	1	100.8590	0.058	7	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	100.7947	0.243	4	100.7947	0.059	4	100.8590	0.058	7	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	100.8905	0.340	2	100.8905	0.116	2	100.8590	0.058	7	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:P-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O){2|C<3>}	102.2620	0.000	1	102.2620	0.000	1	102.2620	0.000	1	101.0487	0.214	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H){2|C<3>}	101.5430	0.000	1	101.5430	0.000	1	101.5430	0.000	1	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	102.3680	0.000	2	102.3680	0.000	2	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5410	0.000	1	101.5410	0.000	1	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7410	0.000	1	101.7410	0.000	1	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.3620	0.061	2	101.3620	0.004	2	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.4760	0.000	1	101.4760	0.000	1	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9278	0.102	4	101.9317	0.021	6	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9395	0.274	2	101.9317	0.021	6	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.8690	0.000	1	101.8690	0.000	1	101.8341	0.108	14	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.0645	0.541	2	101.0645	0.293	2	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	102.0270	0.000	1	102.0270	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.2090	0.000	1	101.2090	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.7188	0.188	5	101.7188	0.035	5	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.9670	0.000	1	101.9670	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.6100	0.481	2	101.6100	0.231	2	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	102.1720	0.000	1	101.8157	0.159	3	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.6375	0.359	2	101.8157	0.159	3	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.8950	0.000	1	101.8950	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.1950	0.000	1	101.1950	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	102.2290	0.000	1	102.2290	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.5995	0.915	4	101.7168	0.549	6	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.9515	0.262	2	101.7168	0.549	6	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	103.1190	0.000	1	103.1190	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.8770	0.124	5	101.8770	0.015	5	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	101.3940	0.218	2	101.3940	0.047	2	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	101.5970	0.143	2	101.5970	0.020	2	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.5010	0.000	1	101.5010	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	102.0335	0.189	2	102.0335	0.036	2	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	101.1910	0.000	1	101.1910	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	102.0910	0.000	1	102.0910	0.000	1	101.7320	0.231	39	101.7550	0.195	54	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	98.6173	0.000	1	98.6173	0.000	1	98.0917	0.552	2	99.6888	7.928	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	97.5662	0.000	1	97.5662	0.000	1	98.0917	0.552	2	99.6888	7.928	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr){2|C<3>}	102.8830	0.000	1	102.8830	0.000	1	102.8830	0.000	1	99.6888	7.928	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	P[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(COO){6|C<3>}	105.3050	0.000	1	105.3050	0.000	1	105.3220	0.001	2	105.3220	0.001	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:3:4:	4:4:3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	P[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](P[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]CC)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]CC)(COO){6|C<3>}	105.3390	0.000	1	105.3390	0.000	1	105.3220	0.001	2	105.3220	0.001	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	100.9040	0.000	1	100.9040	0.000	1	100.9040	0.000	1	100.9040	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	101.6090	0.000	1	101.6090	0.000	1	101.6090	0.000	1	101.5648	0.546	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	101.2920	0.000	1	101.2920	0.000	1	101.2920	0.000	1	101.5648	0.546	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.5550	0.000	1	102.5550	0.000	1	101.6790	1.535	2	101.5648	0.546	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	100.8030	0.000	1	100.8030	0.000	1	101.6790	1.535	2	101.5648	0.546	4	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O)	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O){1|H<1>,2|C<4>,4|C<3>}	100.7940	0.000	1	100.7940	0.000	1	100.7940	0.000	1	100.7940	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	101.1330	0.000	1	101.1333	0.018	3	101.1656	0.012	5	101.1656	0.012	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	101.1335	0.189	2	101.1333	0.018	3	101.1656	0.012	5	101.1656	0.012	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	101.1660	0.000	1	101.2140	0.005	2	101.1656	0.012	5	101.1656	0.012	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	101.2620	0.000	1	101.2140	0.005	2	101.1656	0.012	5	101.1656	0.012	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:2:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H){1|C<3>,1|N<2>}	103.1700	0.000	1	103.1700	0.000	1	103.1700	0.000	1	103.1700	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	101.2535	0.248	2	101.2535	0.062	2	101.0434	0.083	7	101.1309	0.133	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	100.8330	0.000	1	100.8330	0.000	1	101.0434	0.083	7	101.1309	0.133	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H){1|C<6>,2|C<3>,4|B<6>}	100.7170	0.000	1	100.7170	0.000	1	101.0434	0.083	7	101.1309	0.133	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	101.0823	0.313	3	101.0823	0.098	3	101.0434	0.083	7	101.1309	0.133	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O){4|C<3>}	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.1309	0.133	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	102.2350	0.000	1	102.0905	0.042	2	102.0905	0.042	2	102.0905	0.042	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	101.9460	0.000	1	102.0905	0.042	2	102.0905	0.042	2	102.0905	0.042	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	101.1540	0.000	1	101.1540	0.000	1	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	100.9720	0.509	2	100.9720	0.259	2	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	101.3810	0.489	2	101.0385	0.144	6	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	100.8672	0.206	4	101.0385	0.144	6	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	100.6880	0.000	1	100.6880	0.000	1	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	100.8390	0.000	1	100.8390	0.000	1	100.9869	0.113	11	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O){2|C<3>}	107.6270	0.561	3	107.6270	0.315	3	107.6270	0.315	3	102.4098	8.130	14	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	99.7528	0.000	1	99.7528	0.000	1	99.2225	0.112	10	99.2742	0.130	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCC){2|C<3>}	98.9790	0.076	5	98.9790	0.006	5	99.2225	0.112	10	99.2742	0.130	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	99.3944	0.310	4	99.3944	0.096	4	99.2225	0.112	10	99.2742	0.130	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	99.7909	0.000	1	99.7909	0.000	1	99.7909	0.000	1	99.2742	0.130	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	99.6534	0.000	1	99.6534	0.000	1	99.3563	0.047	5	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	99.3782	0.000	1	99.3782	0.000	1	99.3563	0.047	5	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	99.3057	0.213	2	99.2499	0.032	3	99.3563	0.047	5	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	99.1383	0.000	1	99.2499	0.032	3	99.3563	0.047	5	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	99.1984	0.260	2	99.1984	0.068	2	99.1984	0.068	2	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	99.1577	0.226	3	99.1577	0.051	3	99.1577	0.051	3	99.2651	0.049	10	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){2|C<3>}	98.2686	0.000	1	98.2686	0.000	1	98.2686	0.000	1	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.7890	0.000	1	101.7890	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.8583	0.052	3	101.8583	0.003	3	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	102.2570	0.000	1	102.2570	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5610	0.000	1	101.5610	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.0090	0.000	1	102.0090	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9650	0.167	2	102.2607	0.246	14	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7610	0.409	4	102.2607	0.246	14	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.5845	0.305	8	102.2607	0.246	14	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9650	0.037	2	101.9650	0.001	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.3200	0.000	1	101.3200	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5500	0.000	1	101.5500	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.6920	0.550	2	102.6920	0.303	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.6240	0.000	1	101.6240	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.2120	0.000	1	102.2120	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.5000	0.468	2	102.5000	0.219	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.3400	0.000	2	101.0683	0.221	3	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	100.5250	0.000	1	101.0683	0.221	3	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5650	0.264	2	101.5650	0.070	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.2330	0.000	1	102.2330	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5630	0.000	1	101.5767	0.061	3	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5835	0.350	2	101.5767	0.061	3	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	102.1850	0.000	1	102.1850	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.9310	0.000	1	101.9310	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7405	0.484	6	101.7405	0.234	6	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	101.3530	0.000	1	101.3530	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	102.1180	0.000	1	102.1180	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.5200	0.134	2	101.5200	0.018	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.6590	0.000	1	101.6590	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7430	0.000	1	101.7430	0.000	1	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	101.7870	0.000	1	101.9755	0.071	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	102.1640	0.000	1	101.9755	0.071	2	101.9211	0.254	56	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	102.2010	0.000	1	102.2010	0.000	1	102.2010	0.000	1	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H){2|C<3>}	101.5910	0.000	1	101.5910	0.000	1	101.5910	0.000	1	101.9643	1.137	60	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	98.9620	0.000	1	98.9620	0.000	1	98.9620	0.000	1	98.9620	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	101.2985	0.045	2	101.2985	0.002	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	100.8500	0.000	1	100.5355	0.198	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	100.2210	0.000	1	100.5355	0.198	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC){2|C<3>}	101.1440	0.000	1	101.1440	0.000	1	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.1200	0.000	1	101.1775	0.165	61	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.5140	0.000	1	101.1775	0.165	61	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.1728	0.411	59	101.1775	0.165	61	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	101.3355	0.214	2	101.3183	0.016	4	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	101.3010	0.008	2	101.3183	0.016	4	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	101.3610	0.378	2	101.3610	0.143	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	101.3935	0.333	2	101.3935	0.111	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	101.0915	0.132	2	101.0915	0.017	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	101.0613	0.362	3	101.0613	0.131	3	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH){2|C<3>}	101.0410	0.000	1	101.0410	0.000	1	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN){2|C<3>}	101.2105	0.247	2	101.2105	0.061	2	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	101.1180	0.291	2	101.1827	0.056	4	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	101.2475	0.257	2	101.1827	0.056	4	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H){2|C<3>}	101.2590	0.000	1	101.2590	0.000	1	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCC){2|C<3>}	99.8968	0.394	6	99.8968	0.156	6	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH){2|C<3>}	100.7553	0.326	3	100.7553	0.107	3	101.0822	0.238	96	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.5310	0.146	2	101.3613	0.196	9	101.4280	0.165	15	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	101.3129	0.495	7	101.3613	0.196	9	101.4280	0.165	15	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	101.4440	0.000	1	101.4440	0.000	1	101.4280	0.165	15	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	101.5448	0.399	5	101.5448	0.159	5	101.4280	0.165	15	101.1289	0.240	111	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	101.0142	0.294	6	101.0142	0.087	6	101.0142	0.087	6	101.1424	0.125	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	101.5270	0.223	2	101.5270	0.050	2	101.5270	0.050	2	101.1424	0.125	8	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:4:	3:3:4:	4:4:2:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	99.3225	0.000	1	99.3225	0.000	1	99.3225	0.000	1	99.3225	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H){2|C<3>}	101.4540	0.000	1	101.4540	0.000	1	101.4540	0.000	1	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.2780	0.027	2	102.4837	0.127	3	102.4837	0.127	3	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	102.8950	0.000	1	102.4837	0.127	3	102.4837	0.127	3	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	102.8700	0.000	1	102.8700	0.000	1	102.7195	0.045	2	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	102.5690	0.000	1	102.5690	0.000	1	102.7195	0.045	2	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	102.7600	0.000	1	102.7600	0.000	1	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	103.4620	0.000	1	103.4620	0.000	1	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	102.7120	0.000	2	102.8038	0.072	4	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	102.5930	0.000	1	102.8038	0.072	4	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	103.1980	0.000	1	102.8038	0.072	4	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	102.4530	0.000	1	102.4530	0.000	1	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	102.3470	0.000	1	102.6695	0.208	2	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	102.9920	0.000	1	102.6695	0.208	2	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	102.4430	0.037	2	102.4430	0.001	2	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	103.0800	0.000	1	103.0800	0.000	1	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	102.6820	0.000	1	102.6820	0.000	1	102.7598	0.112	13	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S){1|H<1>,4|C<3>}	103.3760	0.158	2	103.3760	0.025	2	103.3760	0.025	2	102.7130	0.216	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	102.3030	0.069	2	102.3030	0.005	2	102.3030	0.005	2	101.7817	0.818	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:3:4:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	100.7390	0.000	1	100.7390	0.000	1	100.7390	0.000	1	101.7817	0.818	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:2:1:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	C[5](C[5]C[5,6a]C[3]H)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H){1|Cl<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[3]H)(N[5]C[5,6a])(O){2|C<4>,3|C<3>}	101.7950	0.000	1	101.7950	0.000	1	101.7950	0.000	1	101.7950	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	101.6720	0.000	1	101.6720	0.000	1	101.6720	0.000	1	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	102.3780	0.000	1	102.3780	0.000	1	102.3780	0.000	1	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	102.6200	0.000	1	102.6200	0.000	1	102.6200	0.000	1	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H){1|Fe<10>,2|C<3>,4|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H){2|C<3>,3|C<4>}	101.3020	0.000	1	101.3020	0.000	1	101.3020	0.000	1	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	102.6527	0.484	4	102.6527	0.234	4	102.6726	0.177	5	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	102.7520	0.000	1	102.7520	0.000	1	102.6726	0.177	5	102.3706	0.357	9	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:P[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC){1|O<1>,2|C<3>,2|O<2>}	103.3340	0.000	1	103.3340	0.000	1	103.3340	0.000	1	103.3340	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	100.4785	0.243	2	100.4785	0.059	2	100.4785	0.059	2	101.2493	1.812	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:1:	3:4:3:	4:3:4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	102.7910	0.000	1	102.7910	0.000	1	102.7910	0.000	1	101.2493	1.812	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>}	100.4160	0.000	1	100.4160	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	102.2130	0.000	1	102.2130	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	101.4290	0.064	3	101.7272	0.182	5	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	102.3370	0.000	1	101.7272	0.182	5	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	102.0120	0.000	1	101.7272	0.182	5	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	102.0460	0.000	1	102.0460	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	101.5570	0.000	1	101.5570	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	101.8230	0.181	2	101.8230	0.033	2	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	101.7680	0.000	1	101.7680	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	101.5860	0.000	1	101.6940	0.023	2	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|F<1>,2|C<3>,2|C<4>}	101.8020	0.000	1	101.6940	0.023	2	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.7590	0.000	1	101.7590	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	102.0560	0.000	1	102.0560	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	101.8640	0.000	1	101.8640	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	101.9440	0.000	1	101.9440	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	101.9160	0.000	1	101.9160	0.000	1	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,3|C<3>}	102.2915	0.330	2	102.2915	0.109	2	101.7996	0.187	21	101.7996	0.187	21	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	101.9160	0.205	2	101.9160	0.042	2	101.3742	0.223	6	101.3742	0.223	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.3680	0.000	1	101.3680	0.000	1	101.3742	0.223	6	101.3742	0.223	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	101.1425	0.018	2	101.1425	0.000	2	101.3742	0.223	6	101.3742	0.223	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:2:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	100.7600	0.000	1	100.7600	0.000	1	101.3742	0.223	6	101.3742	0.223	6	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	100.8570	0.000	1	100.8570	0.000	1	100.8570	0.000	1	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){5|C<3>}	101.5050	0.000	1	101.5050	0.000	1	101.3836	0.085	5	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	101.1960	0.000	1	101.1960	0.000	1	101.3836	0.085	5	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	101.5355	0.433	2	101.4057	0.145	3	101.3836	0.085	5	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	101.1460	0.000	1	101.4057	0.145	3	101.3836	0.085	5	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	101.6820	0.000	1	101.6820	0.000	1	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	101.3710	0.033	2	101.3332	0.077	4	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	101.2955	0.473	2	101.3332	0.077	4	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	102.0360	0.000	1	102.0360	0.000	1	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	102.4170	0.000	1	102.4170	0.000	1	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	101.1810	0.000	1	101.1810	0.000	1	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	101.6210	0.000	1	101.5783	0.629	3	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	102.3490	0.000	1	101.5783	0.629	3	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>}	100.7650	0.000	1	101.5783	0.629	3	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	102.4840	0.000	1	102.4840	0.000	1	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	101.5690	0.000	1	101.5860	0.001	2	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	101.6030	0.000	1	101.5860	0.001	2	101.6457	0.274	14	101.5408	0.245	20	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,6|C<3>}	100.6280	0.000	1	100.6280	0.000	1	100.6280	0.000	1	101.6796	0.438	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.2170	0.192	2	102.2170	0.037	2	102.2170	0.037	2	101.6796	0.438	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	101.7920	0.000	1	101.7920	0.000	1	101.7920	0.000	1	101.6796	0.438	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	101.5440	0.000	1	101.5440	0.000	1	101.5440	0.000	1	101.6796	0.438	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(H){1|C<4>,4|C<3>}	98.8349	0.000	1	98.8349	0.000	1	98.8349	0.000	1	102.1686	16.145	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(O){1|C<4>,4|C<3>}	101.0410	0.000	1	101.0410	0.000	1	101.0410	0.000	1	102.1686	16.145	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a])(O){1|N<3>,4|C<3>}	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	102.1686	16.145	3	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	101.7033	0.590	3	101.7404	0.150	7	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	101.7682	0.255	4	101.7404	0.150	7	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	102.5090	0.000	1	102.5380	0.002	2	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	102.5670	0.000	1	102.5380	0.002	2	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	101.5510	0.000	1	101.5510	0.000	1	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:3:4:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	101.8180	0.000	1	101.8180	0.000	1	101.8753	0.201	11	101.8753	0.201	11	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	102.4410	0.000	1	102.4410	0.000	1	101.6476	0.225	5	101.6476	0.225	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	101.7340	0.000	1	101.7340	0.000	1	101.6476	0.225	5	101.6476	0.225	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:4:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	101.3543	0.044	3	101.3543	0.002	3	101.6476	0.225	5	101.6476	0.225	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O){1|S<2>,2|H<1>,5|C<3>}	102.4270	0.000	1	102.4270	0.000	1	102.4270	0.000	1	101.4415	1.942	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H){2|C<3>,5|C<4>,9|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H){2|C<3>,3|H<1>,6|C<4>}	100.4560	0.000	1	100.4560	0.000	1	100.4560	0.000	1	101.4415	1.942	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){5|C<3>}	102.2140	0.000	1	102.2140	0.000	1	102.2140	0.000	1	102.2140	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:1:	3:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH){2|C<4>,3|C<3>}	102.3780	0.000	1	102.3780	0.000	1	102.3780	0.000	1	102.3780	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	101.3950	0.000	1	101.3950	0.000	1	101.3950	0.000	1	101.3950	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:3:	3:4:3:	4:2:1:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O){7|C<3>}	100.2025	0.060	2	100.2025	0.004	2	100.2025	0.004	2	100.2025	0.004	2	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:3:	3:4:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.3344	0.118	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:3:	3:4:3:	4:3:1:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){7|C<3>}	101.2325	0.161	2	101.2325	0.026	2	101.2322	0.088	4	101.3344	0.118	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:3:	3:4:3:	4:3:1:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O){9|C<3>}	101.2320	0.488	2	101.2320	0.238	2	101.2322	0.088	4	101.3344	0.118	5	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:4:	3:4:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	101.1180	0.000	1	101.1180	0.000	1	101.1180	0.000	1	101.1180	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5]	6:3:3:4:	4:3:3:	4:2:4:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:N[5]-2:C-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	98.9159	0.000	1	98.9159	0.000	1	98.9159	0.000	1	98.9159	0.000	1	101.9096	1.453	1230	101.5690	2.269	2841
474	727	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	103.6450	0.000	1	103.6450	0.000	1	103.6450	0.000	1	103.6450	0.000	1	105.9094	2.221	5	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	105.9094	2.221	5	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	107.1240	0.410	2	105.9094	2.221	5	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	107.1240	0.410	2	105.9094	2.221	5	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:4:	4:3:3:	4:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,4|C<4>,8|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	105.9094	2.221	5	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,5a,6]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	106.5745	0.370	2	106.5745	0.137	2	106.5282	0.052	4	106.5282	0.052	4	106.5282	0.052	4	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,5a,6]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	106.4820	0.105	2	106.4820	0.011	2	106.5282	0.052	4	106.5282	0.052	4	106.5282	0.052	4	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6]	3:3:2:1:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	106.4895	0.080	2	106.4895	0.006	2	106.4895	0.006	2	106.4895	0.006	2	105.0343	9.549	6	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6]	3:3:2:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	103.8100	4.383	3	103.8100	19.213	3	103.8100	19.213	3	103.8100	19.213	3	105.0343	9.549	6	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6]	3:3:4:1:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,6|C<3>}	105.7970	0.000	1	105.7970	0.000	1	105.7970	0.000	1	105.7970	0.000	1	105.0343	9.549	6	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	106.7210	0.000	1	106.7210	0.000	1	106.3102	0.225	5	106.3102	0.225	5	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	105.9535	0.090	2	106.2075	0.229	4	106.3102	0.225	5	106.3102	0.225	5	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<3>}	106.4615	0.650	2	106.2075	0.229	4	106.3102	0.225	5	106.3102	0.225	5	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	105.1410	0.000	1	105.1410	0.000	1	106.2170	2.316	2	106.2170	2.316	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	107.2930	0.000	1	107.2930	0.000	1	106.2170	2.316	2	106.2170	2.316	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO){5|C<3>}	103.3720	0.477	2	103.3720	0.227	2	103.3720	0.227	2	103.3720	0.227	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	4:3:3:	4:3:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.2265	0.334	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	4:3:3:	4:3:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO){5|C<3>}	103.8180	0.000	1	103.8180	0.000	1	103.8180	0.000	1	104.2265	0.334	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH){5|C<3>}	107.3140	0.000	1	107.3140	0.000	1	106.5955	4.015	4	106.5955	4.015	4	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH){1|O<1>,2|O<2>,7|C<3>}	106.3560	2.383	3	106.3560	5.678	3	106.5955	4.015	4	106.5955	4.015	4	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	105.4130	0.000	1	105.4130	0.000	1	105.4130	0.000	1	105.4130	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	105.0710	0.000	1	105.0710	0.000	1	105.7623	0.435	3	105.7623	0.435	3	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,2|C<3>}	105.8310	0.000	1	105.8310	0.000	1	105.7623	0.435	3	105.7623	0.435	3	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	106.3850	0.000	1	106.3850	0.000	1	105.7623	0.435	3	105.7623	0.435	3	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:3:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:2:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O){1|C<4>,2|C<3>}	105.7260	0.000	1	105.7260	0.000	1	105.7260	0.000	1	105.7260	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:2:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[6a,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H){2|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.7495	2.212	4	105.7495	4.895	4	105.7495	4.895	4	105.7495	4.895	4	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:2:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP){2|C<4>,4|H<1>,5|C<3>}	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|H<1>,3|C<3>}	106.3365	0.176	2	106.3365	0.031	2	106.3365	0.031	2	106.3365	0.031	2	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	105.4170	0.000	1	105.4170	0.000	1	105.4170	0.000	1	105.4170	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	103.5790	0.000	1	103.5790	0.000	1	103.5790	0.000	1	103.5790	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	3:4:2:	4:3:4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2){5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	106.3897	0.669	6	106.3897	0.448	6	105.9366	0.693	10	105.9898	0.655	11	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	105.1245	0.916	2	105.1245	0.839	2	105.9366	0.693	10	105.9898	0.655	11	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	105.3895	0.103	2	105.3895	0.011	2	105.9366	0.693	10	105.9898	0.655	11	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,3|C<3>}	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	105.9898	0.655	11	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:1:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,2|C<3>}	106.0643	0.614	4	106.0643	0.377	4	106.0643	0.377	4	106.0643	0.377	4	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	105.7009	1.649	48	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Br-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Br<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	110.6340	0.267	2	110.0735	0.444	4	110.0735	0.444	4	109.8148	0.668	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Br-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	109.5130	0.066	2	110.0735	0.444	4	110.0735	0.444	4	109.8148	0.668	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	109.8148	0.668	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	109.9720	0.000	1	109.9720	0.000	1	110.3167	0.104	3	109.9132	0.359	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	110.4890	0.174	2	110.4890	0.030	2	110.3167	0.104	3	109.9132	0.359	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	109.3080	0.085	2	109.3080	0.007	2	109.3080	0.007	2	109.9132	0.359	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl){1|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){4|Cl<1>,8|C<3>}	112.1825	1.092	2	112.1825	1.194	2	112.1825	1.194	2	110.8468	2.934	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	109.5110	0.687	2	109.5110	0.472	2	109.5110	0.472	2	110.8468	2.934	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	107.5030	0.000	1	110.0107	6.182	3	110.0107	6.182	3	110.0107	6.182	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	110.0540	0.000	1	110.0107	6.182	3	110.0107	6.182	3	110.0107	6.182	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	112.4750	0.000	1	110.0107	6.182	3	110.0107	6.182	3	110.0107	6.182	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	108.8860	1.257	2	108.8860	1.581	2	108.8860	1.581	2	108.8860	1.581	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	107.6230	0.339	2	107.6230	0.115	2	107.6230	0.115	2	108.4670	1.404	9	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|Br<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	107.7090	1.020	2	108.7081	1.548	7	108.7081	1.548	7	108.4670	1.404	9	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	107.8805	0.197	2	108.7081	1.548	7	108.7081	1.548	7	108.4670	1.404	9	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	109.9260	0.443	3	108.7081	1.548	7	108.7081	1.548	7	108.4670	1.404	9	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.9955	0.004	2	108.9955	0.000	2	108.9955	0.000	2	108.9955	0.000	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	109.1787	0.409	4	109.1958	0.127	5	109.1958	0.127	5	109.1958	0.127	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	109.2640	0.000	1	109.1958	0.127	5	109.1958	0.127	5	109.1958	0.127	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:2:	4:3:3:	3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	105.8190	0.000	1	105.8190	0.000	1	105.8190	0.000	1	106.4310	0.749	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	106.4310	0.749	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	106.5005	0.426	2	106.5005	0.182	2	106.5005	0.182	2	106.5005	0.182	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){1|C<4>,1|O<2>,9|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	106.9524	0.117	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	106.7230	0.239	2	106.7230	0.057	2	106.7230	0.057	2	106.9524	0.117	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){1|Au<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2){10|C<3>,2|C<4>}	106.8738	0.198	4	106.8738	0.039	4	106.8738	0.039	4	106.9524	0.117	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,3|C<4>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	106.9524	0.117	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[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[5,6,6]C[5,6,6a]2C[5])	C[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[5,6,6]C[5,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	C[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[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	106.9280	0.397	2	106.9280	0.158	2	106.9280	0.158	2	106.8816	0.179	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	107.4520	0.000	1	106.8507	0.276	3	106.8507	0.276	3	106.8816	0.179	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	106.4790	0.000	1	106.8507	0.276	3	106.8507	0.276	3	106.8816	0.179	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	106.6210	0.000	1	106.8507	0.276	3	106.8507	0.276	3	106.8816	0.179	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	106.8675	0.624	2	106.8675	0.390	2	106.8675	0.390	2	106.8675	0.390	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	106.7510	0.950	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	105.9385	0.095	2	105.9385	0.009	2	105.9385	0.009	2	106.7510	0.950	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:3:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,3|C<4>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	106.7510	0.950	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.4440	0.000	1	109.4440	0.000	1	107.9156	1.421	5	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	106.6400	0.000	1	106.6400	0.000	1	107.9156	1.421	5	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.8950	0.000	1	108.8950	0.000	1	107.9156	1.421	5	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	107.2640	0.000	1	107.2640	0.000	1	107.9156	1.421	5	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.3350	0.000	1	107.3350	0.000	1	107.9156	1.421	5	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	108.7910	0.000	1	108.7910	0.000	1	109.0110	0.097	2	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.0110	0.097	2	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	108.2996	0.863	10	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.1070	0.000	1	107.1070	0.000	1	107.5212	0.167	4	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.6835	0.518	2	107.6593	0.136	3	107.5212	0.167	4	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.6110	0.000	1	107.6593	0.136	3	107.5212	0.167	4	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	108.4153	1.537	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	111.5380	0.000	1	111.5380	0.000	1	108.2355	1.779	10	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	108.0290	0.000	1	107.5670	1.170	3	108.2355	1.779	10	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.3360	1.421	2	107.5670	1.170	3	108.2355	1.779	10	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	108.2590	0.113	2	108.0193	0.228	6	108.2355	1.779	10	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.8995	0.564	4	108.0193	0.228	6	108.2355	1.779	10	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,1|H<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	107.6530	0.000	1	107.6530	0.000	1	107.9567	0.050	4	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	107.9310	0.000	1	108.0580	0.014	3	107.9567	0.050	4	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	108.1215	0.056	2	108.0580	0.014	3	107.9567	0.050	4	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	107.9150	0.000	1	107.9150	0.000	1	109.1060	2.837	2	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.2970	0.000	1	110.2970	0.000	1	109.1060	2.837	2	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	107.3720	0.000	1	108.3605	1.954	2	108.3720	0.439	6	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	109.3490	0.000	1	108.3605	1.954	2	108.3720	0.439	6	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	108.2830	0.000	1	108.3778	0.080	4	108.3720	0.439	6	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.4093	0.337	3	108.3778	0.080	4	108.3720	0.439	6	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	108.4543	1.295	24	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.9110	0.000	1	108.9075	0.000	2	108.8023	0.033	3	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.9040	0.000	1	108.9075	0.000	2	108.8023	0.033	3	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.5920	0.000	1	108.5920	0.000	1	108.8023	0.033	3	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.6457	0.192	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.5990	0.000	1	108.0030	0.326	2	108.3928	0.403	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	108.4070	0.000	1	108.0030	0.326	2	108.3928	0.403	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	108.4110	0.000	1	108.7825	0.276	2	108.3928	0.403	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.1540	0.000	1	108.7825	0.276	2	108.3928	0.403	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	108.4780	0.055	3	108.4780	0.003	3	108.4723	0.002	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	108.4550	0.000	1	108.4550	0.000	1	108.4723	0.002	4	108.4325	0.176	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	106.8770	0.096	3	106.8770	0.009	3	106.8770	0.009	3	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0410	0.000	1	109.0410	0.000	1	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.2260	0.174	2	107.2260	0.030	2	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0260	0.652	2	109.0260	0.425	2	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.4860	0.000	1	108.4860	0.000	1	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	106.5590	0.000	1	106.5590	0.000	1	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	109.0580	0.000	1	109.0580	0.000	1	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.2291	0.997	9	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.9770	0.000	1	108.9770	0.000	1	109.0790	0.241	3	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.6470	0.000	1	108.6470	0.000	1	109.0790	0.241	3	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.6130	0.000	1	109.6130	0.000	1	109.0790	0.241	3	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	108.2111	1.174	16	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	108.5545	0.479	2	108.5545	0.229	2	108.5545	0.229	2	108.2600	0.277	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	108.2600	0.277	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	108.2620	0.000	1	108.3070	0.004	2	108.3803	0.018	3	108.2600	0.277	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	108.3520	0.000	1	108.3070	0.004	2	108.3803	0.018	3	108.2600	0.277	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.3803	0.018	3	108.2600	0.277	6	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	108.9725	0.014	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.9725	0.014	2	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.4110	0.106	2	108.4110	0.011	2	108.4110	0.011	2	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	108.3730	0.000	1	108.6497	0.311	3	108.6497	0.311	3	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	109.2920	0.000	1	108.6497	0.311	3	108.6497	0.311	3	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.2840	0.000	1	108.6497	0.311	3	108.6497	0.311	3	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	109.5183	0.201	3	108.5851	0.379	16	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	108.4290	0.000	1	108.5851	0.379	16	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.4195	0.298	2	108.5851	0.379	16	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.2254	0.282	7	108.5851	0.379	16	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	108.6537	0.845	3	108.5851	0.379	16	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	106.2843	0.655	4	106.2843	0.429	4	108.1249	1.259	20	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.5708	0.161	5	108.5708	0.026	5	109.0710	0.793	7	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.3215	0.525	2	110.3215	0.276	2	109.0710	0.793	7	108.3990	1.102	32	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	109.3140	0.050	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.5023	0.158	3	109.3443	0.049	7	109.3443	0.049	7	109.3140	0.050	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.2258	0.196	4	109.3443	0.049	7	109.3443	0.049	7	109.3140	0.050	8	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	108.1310	0.000	1	108.1310	0.000	1	106.9988	0.841	5	106.9988	0.841	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	106.7157	0.767	4	106.7157	0.588	4	106.9988	0.841	5	106.9988	0.841	5	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.5527	0.497	3	108.5527	0.247	3	108.8636	0.816	5	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.3410	0.000	1	110.3410	0.000	1	108.8636	0.816	5	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.3190	0.000	1	108.3190	0.000	1	108.8636	0.816	5	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.4710	0.000	1	107.4710	0.000	1	106.6467	0.309	4	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	106.3570	0.143	2	106.3570	0.020	2	106.6467	0.309	4	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[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[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	106.4020	0.000	1	106.4020	0.000	1	106.6467	0.309	4	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.1079	1.786	11	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.6710	0.173	2	110.6710	0.030	2	110.6710	0.030	2	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.0882	0.212	5	108.0523	0.044	6	108.0523	0.044	6	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	107.8730	0.000	1	108.0523	0.044	6	108.0523	0.044	6	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.0835	0.091	2	107.9317	0.073	3	107.9317	0.073	3	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	107.6280	0.000	1	107.9317	0.073	3	107.9317	0.073	3	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.9338	0.488	5	109.9338	0.238	5	109.9338	0.238	5	108.8984	1.290	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.7625	0.821	2	109.1190	0.777	4	109.1190	0.777	4	108.9054	0.424	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.4755	0.005	2	109.1190	0.777	4	109.1190	0.777	4	108.9054	0.424	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0750	0.397	7	108.8397	0.351	13	108.8397	0.351	13	108.9054	0.424	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.5652	0.696	6	108.8397	0.351	13	108.8397	0.351	13	108.9054	0.424	17	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	109.1290	0.000	1	109.1333	0.372	3	109.1333	0.372	3	109.1333	0.372	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.5260	0.000	1	109.1333	0.372	3	109.1333	0.372	3	109.1333	0.372	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.7450	0.000	1	109.1333	0.372	3	109.1333	0.372	3	109.1333	0.372	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:3:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	111.2130	0.007	2	111.2130	0.000	2	111.2130	0.000	2	110.2605	1.312	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:3:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	109.3080	0.554	2	109.3080	0.307	2	109.3080	0.307	2	110.2605	1.312	4	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2{4|Cl<1>,2|C<4>,6|C<3>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:1:	3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:1:	3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){2|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]){4|Cl<1>,3|C<4>,5|C<3>}	103.4420	0.000	1	103.4420	0.000	1	103.4420	0.000	1	106.2580	5.953	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:1:	3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,8|C<3>}	107.6660	0.109	2	107.6660	0.012	2	107.6660	0.012	2	106.2580	5.953	3	108.4395	1.754	246	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6]	3:3:3:4:	3:3:4:	4:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	107.2850	0.000	1	107.2850	0.000	1	108.8597	1.714	6	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	110.2230	0.191	2	110.2230	0.036	2	108.8597	1.714	6	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	109.2440	0.000	1	109.2440	0.000	1	108.8597	1.714	6	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.8597	1.714	6	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	107.3820	0.000	1	107.3820	0.000	1	108.8597	1.714	6	108.8695	1.343	8	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:3:2:	3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	109.0346	1.420	9	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	104.9030	0.551	2	107.9007	3.088	321
474	727	818	6:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:3:4:	3:4:3:	4:4:2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	104.3780	0.000	1	104.3780	0.000	1	104.3780	0.000	1	104.3780	0.000	1	104.9030	0.551	2	107.9007	3.088	321