474	643	830	0:SP3_SP-NON_SP2	C[5]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	F(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	108.7960	0.000	1	108.7960	0.000	1	108.9833	0.044	3	108.9833	0.044	3	108.9590	0.138	5	108.9590	0.138	5
474	643	830	0:SP3_SP-NON_SP2	C[5]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	F(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	108.9440	0.000	1	108.9440	0.000	1	108.9833	0.044	3	108.9833	0.044	3	108.9590	0.138	5	108.9590	0.138	5
474	643	830	0:SP3_SP-NON_SP2	C[5]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	F(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	F(C[5]C[5,6a]C[6a]C[5])	109.2100	0.000	1	109.2100	0.000	1	108.9833	0.044	3	108.9833	0.044	3	108.9590	0.138	5	108.9590	0.138	5
474	643	830	0:SP3_SP-NON_SP2	C[5]	C[6a]	F	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	F(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	F(C[5]C[6a]C[5]2)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.9590	0.138	5	108.9590	0.138	5
474	643	830	0:SP3_SP-NON_SP2	C[5]	C[6a]	F	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F)	F(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F){1|O<1>,3|C<3>,4|H<1>}	F(C[5]C[6a]C[5]2)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	108.9590	0.138	5	108.9590	0.138	5
474	643	849	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[6]	4:3:3:4:	4:3:3:	4:2:2:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:O[6]-2:O[6]-2:O-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>,4|C<3>}	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	111.0610	1.619	3	111.0610	2.621	3	111.0610	2.621	3	111.0610	2.621	3	111.0610	2.621	3	111.0610	2.621	3
474	643	852	0:SP3_SP2_SP3	C[5,5]	C[6a]	P[3,5,5]	3:3:3:3:	4:3:3:	3:3:4:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|P<3>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	108.3615	2.386	2	108.3615	5.695	2	108.3615	5.695	2	108.3615	5.695	2	108.3615	5.695	2	108.3615	5.695	2
474	643	856	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	109.7565	3.983	6	109.7565	3.983	6
474	643	856	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	111.0865	0.745	2	111.0865	0.554	2	111.0865	0.554	2	111.0865	0.554	2	109.7565	3.983	6	109.7565	3.983	6
474	643	856	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	109.7565	3.983	6	109.7565	3.983	6
474	643	856	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	4:3:3:2:	4:3:2:	4:2:1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	107.2805	0.552	2	107.2805	0.305	2	107.2805	0.305	2	107.2805	0.305	2	109.7565	3.983	6	109.7565	3.983	6
474	643	856	0:SP3_SP2_SP3	C[5,6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	4:4:1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	107.3450	1.563	5	107.3450	1.563	5
474	643	856	0:SP3_SP2_SP3	C[5,6]	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	106.8670	0.798	2	106.8670	0.636	2	106.8670	0.636	2	106.8317	0.328	4	107.3450	1.563	5	107.3450	1.563	5
474	643	856	0:SP3_SP2_SP3	C[5,6]	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:H-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	106.7965	0.585	2	106.7965	0.342	2	106.7965	0.342	2	106.8317	0.328	4	107.3450	1.563	5	107.3450	1.563	5
474	643	856	6:SP3_SP2_SP2	C[5,6,6]	C[6,6a]	N[6,6]	3:4:3:4:	4:3:3:	4:4:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	109.8415	2.460	4
474	643	856	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[6]	3:3:2:2:	3:4:3:	4:3:4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H)	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	109.8290	3.688	3	109.8415	2.460	4
474	643	856	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[6]	3:3:4:3:	3:4:3:	4:3:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	109.8290	3.688	3	109.8415	2.460	4
474	643	856	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[6]	3:3:4:3:	3:4:3:	4:4:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	109.8290	3.688	3	109.8415	2.460	4
474	643	880	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	Si	4:3:4:4:	4:3:3:	4:3:4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	116.1190	0.000	1	116.1190	0.000	1	116.1190	0.000	1	116.1190	0.000	1	116.1190	0.000	1	116.2725	3.935	6
474	643	880	0:SP3_SP2_SP3	C[5]	C[6a]	Si	3:3:3:4:	4:3:3:	4:4:4:4:	B[5]-3:C[5]-3:C[6a]-3:Si-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[5]B[5]C[5]Si)(C[6a]C[6a]H)2	Si(C[5]C[6a]B[5]C[5])(CCHH)3	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3){3|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5]Si)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	Si(C[5]C[6a]B[5]C[5])(CCHH)3	116.3032	2.216	5	116.3032	4.911	5	116.3032	4.911	5	116.3032	4.911	5	116.3032	4.911	5	116.2725	3.935	6
474	643	888	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	Se[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	115.2597	22.798	3	115.2597	22.798	3	115.2597	22.798	3
474	643	888	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	Se[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O){1|H<1>,7|C<3>}	115.1185	6.744	2	115.1185	45.477	2	115.1185	45.477	2	115.2597	22.798	3	115.2597	22.798	3	115.2597	22.798	3
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C){6|C<3>}	115.8395	0.535	2	115.8395	0.287	2	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	115.6661	0.717	16	115.6661	0.514	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	116.3990	0.733	2	116.6815	0.425	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	116.7208	0.857	4	116.6815	0.425	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	116.5247	0.274	4	116.6815	0.425	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	116.8533	0.931	4	116.6815	0.425	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	116.8555	0.605	2	116.6815	0.425	16	116.1541	0.692	34	116.1541	0.692	34	116.1541	0.692	34	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,5]	C[6a]	S[5]	3:3:2:4:	4:3:3:	4:3:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	S[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	108.5888	1.451	4	108.5888	2.105	4	108.5888	2.105	4	108.5888	2.105	4	109.1908	3.391	5	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,5]	C[6a]	S[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	S[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	109.1908	3.391	5	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:3:	4:3:3:	4:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6]C)(C[5]N[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	S[5](C[5,6]C[6,6a]N[5,6]C)(C[5]N[5]N){3|C<3>}	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	110.6190	0.000	1	110.6190	0.000	1	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N){6|C<3>}	108.9390	0.216	2	109.2593	0.263	6	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N){6|C<3>}	109.4195	0.566	4	109.2593	0.263	6	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.8890	0.033	2	108.7763	0.039	3	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.5510	0.000	1	108.7763	0.039	3	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<2>,1|S<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]S){6|C<3>}	108.3130	0.091	2	108.3130	0.008	2	109.0942	0.492	12	109.0942	0.492	12	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:4:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	109.5809	3.652	14	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:4:	3:3:4:	3:4:	C[6a]-3:S[5]-2:S[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C)	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C)	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]H)2(C[5]S[5]2C){2|H<1>,3|C<3>}	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C){1|S<2>,3|C<3>}	109.5740	3.745	2	109.5740	14.024	2	109.5740	14.024	2	109.5740	14.024	2	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	3:4:	C[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	112.9683	0.105	3	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	3:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|B<3>,1|H<1>,4|C<3>}	112.8230	0.288	2	112.8230	0.083	2	112.8230	0.083	2	112.9683	0.105	3	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|O<1>,2|C<3>}	112.4950	0.000	1	112.4950	0.000	1	111.9735	0.544	2	112.5947	2.131	6	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|O<1>,3|C<3>}	111.4520	0.000	1	111.4520	0.000	1	111.9735	0.544	2	112.5947	2.131	6	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]N[5]N){3|C<3>}	114.1170	1.117	2	113.6280	1.341	3	113.6280	1.341	3	112.5947	2.131	6	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]N[5]N){3|C<3>}	112.6500	0.000	1	113.6280	1.341	3	113.6280	1.341	3	112.5947	2.131	6	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N){1|N<2>,3|C<3>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	112.5947	2.131	6	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5]-3:S[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC)	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC){3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,4|C<3>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:3:	4:3:3:	3:4:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	104.2270	0.000	1	104.2270	0.000	1	104.2270	0.000	1	104.2270	0.000	1	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]S)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]S)(C[5]N[5]O){1|O<1>,3|C<3>}	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	109.9560	1.807	3	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-3:S[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3)	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]C)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]C)(C[5]N[5]N){3|C<3>}	109.2165	0.576	2	109.2165	0.332	2	109.2165	0.332	2	109.9560	1.807	3	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5]){1|S<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	S[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]S){6|C<3>}	108.3280	4.113	2	108.3280	16.913	2	108.3280	16.913	2	108.3280	16.913	2	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C){2|H<1>,4|C<3>}	110.7840	0.000	1	110.7840	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,5|C<3>}	111.5010	0.000	1	111.5010	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){2|H<1>,4|C<3>}	114.1940	0.000	1	114.1940	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C){2|H<1>,4|C<3>}	113.7255	0.381	2	113.7255	0.145	2	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){2|H<1>,3|C<3>}	111.9760	0.000	1	112.4860	0.562	3	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){2|H<1>,3|C<3>}	112.7410	0.857	2	112.4860	0.562	3	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	114.6920	0.000	1	114.6920	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	109.9400	1.432	4	110.5981	3.059	9	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|N<2>,2|C<3>,2|H<1>}	110.0480	0.914	3	110.5981	3.059	9	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|S<4>,2|C<3>,2|H<1>}	114.2950	0.000	1	110.5981	3.059	9	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|N<3>,2|C<3>,2|H<1>}	111.1840	0.000	1	110.5981	3.059	9	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>}	112.9650	0.000	1	112.9650	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	S[5](C[5]C[6a]C[5]H)(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]S[5]C){2|C<3>,2|H<1>}	109.3940	2.581	2	109.3940	6.661	2	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]S[5]S)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]S[5]S){2|C<3>,2|H<1>}	111.6910	0.000	1	111.6910	0.000	1	111.5867	3.876	22	111.5867	3.876	22	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	3:4:2:3:	4:3:3:	4:3:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.2010	0.498	2	111.2010	0.248	2	111.2010	0.248	2	111.2010	0.248	2	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	112.2950	0.170	2	112.2950	0.029	2	112.2950	0.029	2	112.4470	0.200	4	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<4>,1|H<1>,4|C<3>}	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	112.4470	0.200	4	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	4:3:2:1:	4:3:3:	3:4:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5]H)	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5]H){1|H<1>,2|C<4>,4|C<3>}	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	112.4470	0.200	4	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5,5]N)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5,5]N){2|C<2>,4|C<3>}	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP2	C[5]	C[6a]	S[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,5|C<3>}	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O){1|H<1>,1|S<2>,5|C<3>}	109.3585	0.702	2	109.3585	0.493	2	109.3585	0.493	2	109.3585	0.493	2	111.2900	5.024	50	112.5614	10.107	103
474	643	891	0:SP3_SP2_SP3	C[5,5,6,6]	C[6a]	S[5,6,6]	4:2:2:3:	4:3:3:	4:4:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:P[4,5,6,6]-4:	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S)	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|P<4>,4|H<1>}	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S){1|P<4>,2|H<1>,3|C<3>}	109.5265	2.316	2	109.5265	5.363	2	109.5265	5.363	2	109.5265	5.363	2	109.5265	5.363	2	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	3:2:2:3:	4:3:3:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	117.4840	0.721	3	117.4840	0.520	3	117.4840	0.520	3	117.4840	0.520	3	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	3:4:2:3:	4:2:3:	4:4:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	113.1847	0.885	3	113.1847	0.783	3	112.9903	0.328	7	112.9903	0.328	7	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	3:4:2:3:	4:2:3:	4:4:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.8445	0.261	4	112.8445	0.068	4	112.9903	0.328	7	112.9903	0.328	7	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	117.4730	0.000	1	117.4730	0.000	1	115.6403	4.285	3	115.6403	4.285	3	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.7240	1.879	2	114.7240	3.532	2	115.6403	4.285	3	115.6403	4.285	3	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	4:2:3:3:	4:3:3:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a]){1|O<1>,3|H<1>,4|C<3>}	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	4:3:2:3:	4:2:3:	4:4:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	111.6740	0.000	1	111.6740	0.000	1	113.5747	2.993	6	113.8219	2.922	7	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.9548	1.630	5	113.9548	2.657	5	113.5747	2.993	6	113.8219	2.922	7	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	113.8219	2.922	7	114.5494	4.149	22	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5,6]	3:2:2:3:	4:3:3:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6]S[5,5]S[5,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	109.0983	1.445	3	109.0983	2.087	3	109.0983	2.087	3	109.0983	2.087	3	109.0983	2.087	3	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	S[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<3>,3|C<4>,4|H<1>}	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O){2|C<3>,2|H<1>,3|C<4>}	102.9120	0.000	1	102.9120	0.000	1	102.9120	0.000	1	102.9120	0.000	1	102.9120	0.000	1	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,6]	C[6a]	S[5,6]	4:2:3:1:	4:3:3:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	113.7043	0.290	4	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5,6]	C[6a]	S[5,6]	4:2:3:3:	4:3:3:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	113.5377	0.518	3	113.5377	0.268	3	113.5377	0.268	3	113.5377	0.268	3	113.7043	0.290	4	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H){2|C<3>,2|C<4>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	112.5470	2.547	2	112.5470	6.487	2	112.9280	9.954	4	112.9280	9.954	4	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H){1|C<3>,1|N<3>,3|C<4>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	113.3090	4.774	2	113.3090	22.795	2	112.9280	9.954	4	112.9280	9.954	4	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:2:3:1:	4:3:3:	4:4:	C[6a]-3:S[5]-2:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H){1|H<1>,3|C<3>,6|C<4>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:S[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	3:4:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,1|N<2>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|N<2>,1|O<1>,2|C<3>}	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	113.1973	5.738	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	3:4:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.8060	0.000	1	110.8060	0.000	1	113.2015	11.477	2	113.1973	5.738	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	3:4:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,4|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	115.5970	0.000	1	115.5970	0.000	1	113.2015	11.477	2	113.1973	5.738	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:2:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>}	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	111.7575	0.384	2	111.7575	0.147	2	111.7575	0.147	2	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH){1|C<4>,4|C<3>}	112.0420	0.000	1	112.0420	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	107.2940	0.000	1	107.2940	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	109.3530	0.000	1	109.3530	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	111.2080	0.000	1	111.2080	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	111.3840	0.000	1	111.9165	0.567	2	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	112.4490	0.000	1	111.9165	0.567	2	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	112.5400	0.000	1	112.3312	2.202	4	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	112.2617	1.810	3	112.3312	2.202	4	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	112.1485	0.401	4	111.6752	2.878	9	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	114.1910	0.000	1	111.6752	2.878	9	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	113.1460	0.000	1	111.6752	2.878	9	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	109.7153	0.904	3	111.6752	2.878	9	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<3>,2|C<4>,3|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	113.0970	0.000	1	113.0970	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	112.5180	0.000	1	112.5180	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>}	112.6940	0.000	1	112.6940	0.000	1	111.6564	2.893	22	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	112.5260	0.000	1	112.5260	0.000	1	112.4709	3.084	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	112.7578	1.932	6	112.7903	3.118	7	112.4709	3.084	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	112.9850	0.000	1	112.7903	3.118	7	112.4709	3.084	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	110.1800	0.000	1	110.1800	0.000	1	112.4709	3.084	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){4|C<3>}	111.4590	0.000	1	111.4590	0.000	1	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	113.9905	0.183	2	113.9905	0.034	2	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	112.3480	0.919	2	112.3480	0.845	2	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	110.2290	0.024	2	110.2290	0.001	2	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	116.4550	0.000	1	116.4550	0.000	1	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	110.8870	0.000	1	110.8870	0.000	1	112.4373	4.372	9	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	108.2180	0.000	1	108.2180	0.000	1	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>}	109.8540	0.000	1	109.8540	0.000	1	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.9285	0.349	2	110.9285	0.122	2	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	112.0903	0.813	6	111.7052	1.010	8	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.5500	0.454	2	111.7052	1.010	8	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.2865	1.201	2	110.4843	0.839	3	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.8800	0.000	1	110.4843	0.839	3	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	109.6910	0.000	1	109.6910	0.000	1	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>}	110.6480	1.513	7	110.6480	2.289	7	110.8370	1.746	23	111.5905	2.900	65	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	108.1655	1.520	2	108.1655	2.309	2	108.1655	2.309	2	108.1655	2.309	2	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.7520	0.000	1	112.7520	0.000	1	112.2740	0.290	3	112.2740	0.290	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	111.6900	0.000	1	111.6900	0.000	1	112.2740	0.290	3	112.2740	0.290	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	112.3800	0.000	1	112.3800	0.000	1	112.2740	0.290	3	112.2740	0.290	3	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.7320	0.607	4	112.7320	0.368	4	112.7320	0.368	4	112.7320	0.368	4	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	4:3:2:2:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH){1|C<4>,1|O<2>,4|C<3>}	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.6564	3.896	92	112.0690	5.992	124
474	643	891	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC){1|H<1>,6|C<3>}	109.0450	1.143	4	109.0450	1.305	4	109.0450	1.305	4	109.0450	1.305	4	111.6564	3.896	92	112.0690	5.992	124
474	643	893	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	112.1570	2.307	2	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	112.1570	2.307	2	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	105.2210	0.000	1	105.2210	0.000	1	105.2210	0.000	1	105.1015	0.029	2	106.3906	8.318	5	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	104.9820	0.000	1	104.9820	0.000	1	104.9820	0.000	1	105.1015	0.029	2	106.3906	8.318	5	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	106.3906	8.318	5	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[5]C[6a]C[5]O[5])(CCO)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	106.3906	8.318	5	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP2	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[5]C[6a]C[5]2)(CCO)	104.0040	0.000	1	104.0040	0.000	1	104.0040	0.000	1	104.0040	0.000	1	106.3906	8.318	5	108.0381	13.846	7
474	643	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6,6a]	O	3:3:3:2:	3:3:4:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:O-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[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	O(C[5,6,6]C[5,6,6a]2C[6,6,6a])(OC)	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[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[6,6,6a])(OC)	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>,3|O<2>}	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	106.8060	0.000	1	106.8060	0.000	1	106.8060	0.000	1	106.8060	0.000	1	106.8060	0.000	1	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:2:2:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	106.6140	0.000	1	106.9242	3.526	6	107.4580	4.504	9	107.4580	4.504	9	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	108.5205	2.794	2	106.9242	3.526	6	107.4580	4.504	9	107.4580	4.504	9	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	105.9633	0.965	3	106.9242	3.526	6	107.4580	4.504	9	107.4580	4.504	9	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	108.6265	3.635	2	108.5257	6.638	3	107.4580	4.504	9	107.4580	4.504	9	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	108.3240	0.000	1	108.5257	6.638	3	107.4580	4.504	9	107.4580	4.504	9	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	108.8410	0.051	2	108.8410	0.003	2	108.8410	0.003	2	108.8410	0.003	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	108.8515	14.683	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	108.8515	14.683	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	113.7870	0.000	1	113.7870	0.000	1	112.4980	3.323	2	112.4980	3.323	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	111.2090	0.000	1	111.2090	0.000	1	112.4980	3.323	2	112.4980	3.323	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	O(C[5,6]C[6,6a]C[5,6]2)(H)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	113.8965	0.829	2	113.8965	0.688	2	112.2938	4.720	4	112.2938	4.720	4	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	111.9550	0.000	1	111.9550	0.000	1	112.2938	4.720	4	112.2938	4.720	4	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	109.4270	0.000	1	109.4270	0.000	1	112.2938	4.720	4	112.2938	4.720	4	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:Si-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.1830	0.280	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	111.1830	0.280	2	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	106.2510	0.000	1	106.2133	0.011	3	106.2133	0.011	3	107.3510	2.529	5	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	106.1945	0.141	2	106.2133	0.011	3	106.2133	0.011	3	107.3510	2.529	5	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	109.0575	0.622	2	109.0575	0.386	2	109.0575	0.386	2	107.3510	2.529	5	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	109.3064	7.595	31	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	109.9460	0.000	1	109.9460	0.000	1	110.5205	0.660	2	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	111.0950	0.000	1	111.0950	0.000	1	110.5205	0.660	2	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	107.7150	0.000	1	108.0125	0.177	2	107.9735	0.091	4	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	108.3100	0.000	1	108.0125	0.177	2	107.9735	0.091	4	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	107.9345	0.299	2	107.9345	0.089	2	107.9735	0.091	4	108.0741	5.517	7	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:P-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	107.2750	3.458	2	107.2750	11.956	2	107.2750	11.956	2	107.2750	11.956	2	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	107.2479	1.021	17	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	107.2294	1.040	16	107.2294	1.082	16	107.2294	1.082	16	107.2479	1.021	17	107.4725	2.594	26	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O)	O(C[5]C[6a]O[5]2)(CC[6]HH)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[6a]O[5]2)(CC[6]HH)	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	113.9330	0.000	1	113.9330	0.000	1	110.3125	8.847	6	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	109.0700	2.260	2	109.0700	5.107	2	110.3125	8.847	6	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	108.0190	0.706	2	108.0190	0.498	2	110.3125	8.847	6	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	113.7640	0.000	1	113.7640	0.000	1	110.3125	8.847	6	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	109.7130	0.000	1	109.7130	0.000	1	110.0572	0.277	4	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2{1|O<1>,2|F<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	109.5020	0.000	1	109.5020	0.000	1	110.0572	0.277	4	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	110.5070	0.000	2	110.5070	0.000	2	110.0572	0.277	4	110.2104	5.025	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(OC[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(OC[5])	105.0968	1.882	4	105.0968	3.541	4	105.4173	2.372	6	105.4173	2.372	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(OH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(OH)	106.0585	0.028	2	106.0585	0.001	2	105.4173	2.372	6	105.4173	2.372	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:4:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]N[5])(CH3)	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,5]C[6a]N[5])(CH3)	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	108.2952	1.470	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	109.1190	1.259	2	109.1190	1.584	2	109.1190	1.584	2	108.2952	1.470	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC)	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]N[5]S[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC){3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	O(C[5]C[6a]N[5]S[5])(CH3)	107.7090	0.000	1	107.7090	0.000	1	107.7090	0.000	1	108.2952	1.470	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,7|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.5530	0.000	1	106.5530	0.000	1	110.6545	33.645	2	108.9938	15.049	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2O){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	114.7560	0.000	1	114.7560	0.000	1	110.6545	33.645	2	108.9938	15.049	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.3330	0.686	2	107.3330	0.470	2	107.3330	0.470	2	108.9938	15.049	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	107.1340	0.166	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(CH3)	106.9645	0.400	2	106.9645	0.160	2	106.9645	0.160	2	107.1340	0.166	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:4:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	112.7830	0.000	1	112.7830	0.000	1	112.7830	0.000	1	110.4953	5.623	9	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:4:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2){1|H<1>,8|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	110.6603	2.020	6	110.6603	4.080	6	110.2094	5.585	8	110.4953	5.623	9	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:4:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O){7|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	108.8565	3.717	2	108.8565	13.818	2	110.2094	5.585	8	110.4953	5.623	9	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H)	O(C[5]C[6a]C[5]N[5])(CCHH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]O)(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(CCHH)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:2:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	111.3735	0.235	2	111.3735	0.055	2	110.7733	1.108	3	110.7733	1.108	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:2:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	109.5730	0.000	1	109.5730	0.000	1	110.7733	1.108	3	110.7733	1.108	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	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[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[5,5]C[6a])(H)	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[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	106.6415	0.098	2	106.6415	0.010	2	106.6415	0.010	2	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	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[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[5,6]C[6a])(H)	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[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6]C[6a])(H)	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	108.6395	1.862	22	108.6395	3.468	22	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	110.6394	3.762	5	110.6394	14.155	5	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	104.9890	0.000	1	104.9890	0.000	1	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H)	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	111.6220	0.000	1	111.6220	0.000	1	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	107.3615	0.507	2	108.7174	4.723	52	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	107.3930	0.000	1	108.7174	4.723	52	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	108.6198	1.735	15	108.7174	4.723	52	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	107.9020	0.000	1	108.7174	4.723	52	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	108.9088	2.443	33	108.7174	4.723	52	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(H)	108.4840	2.381	3	108.4840	5.669	3	108.7933	5.088	84	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.7880	0.000	1	111.7880	0.000	1	112.4185	0.494	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	113.0260	0.058	2	113.0260	0.003	2	112.4185	0.494	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.8340	0.000	1	111.8340	0.000	1	112.4185	0.494	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	112.3180	0.000	1	112.3180	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	112.8980	0.000	1	112.8980	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	109.9270	2.023	3	109.9270	4.092	3	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	113.2650	0.000	1	113.2650	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	108.2020	0.000	1	108.2020	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	108.8550	0.000	1	108.8550	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	105.9140	0.000	1	105.9140	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	109.5320	0.000	1	109.1800	0.248	2	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	108.8280	0.000	1	109.1800	0.248	2	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	107.4630	0.000	1	107.4630	0.000	1	109.7547	5.562	12	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	106.6370	0.000	1	106.6370	0.000	1	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	108.7670	0.000	1	108.7670	0.000	1	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	107.5185	0.213	2	107.6715	0.352	4	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	107.1470	0.000	1	107.6715	0.352	4	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	108.5020	0.000	1	107.6715	0.352	4	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	106.6270	0.733	3	108.7134	6.518	8	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	109.9652	2.432	5	108.7134	6.518	8	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	108.6820	0.000	1	108.6820	0.000	1	108.2986	3.769	15	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	107.8500	0.000	1	107.8500	0.000	1	109.5176	2.485	5	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	112.0660	0.000	1	112.0660	0.000	1	109.5176	2.485	5	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	109.4825	0.069	2	109.2240	0.203	3	109.5176	2.485	5	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]N[5])(H)	108.7070	0.000	1	109.2240	0.203	3	109.5176	2.485	5	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	114.5340	0.000	1	114.5340	0.000	1	110.5125	9.560	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	108.1180	0.000	1	108.1180	0.000	1	110.5125	9.560	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	111.3500	0.000	1	111.3500	0.000	1	110.5125	9.560	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	108.0480	0.000	1	108.0480	0.000	1	110.5125	9.560	4	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[5]N[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]N[5,5]C[6a]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5]N[5,5]C[6a]C[5])(H)	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	C[6a](C[5]N[5,5a]C[5]O)(C[6a]C[6a]H)2	O(C[5]N[5,5a]C[6a]C[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[5]N[5,5a]C[6a]C[5])(H)	109.3085	1.935	2	109.3085	3.746	2	109.3085	3.746	2	109.0812	5.449	132	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(C[5]C[5,6a]2C[6a])(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(OC[5])	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	109.9773	18.926	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(OH)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(OH)	105.0450	0.000	1	105.0450	0.000	1	109.1565	33.809	2	109.9773	18.926	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	O(C[5]C[5,6a]C[6a]C[5])(OC)	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[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(OC)	113.2680	0.000	1	113.2680	0.000	1	109.1565	33.809	2	109.9773	18.926	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]2C[6a])(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[5]C[5,6a]2C[6a])(CH3)	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	108.1295	3.834	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	C[6a](C[5]N[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]N[5,6]C[6a]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,6]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]N[5,6]C[6a]C[5])(CH3)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	108.1295	3.834	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.8975	0.820	2	110.3953	7.105	3	110.3953	7.105	3	110.3953	7.105	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	107.3910	0.000	1	110.3953	7.105	3	110.3953	7.105	3	110.3953	7.105	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	3:4:3:	4:1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	O(C[5]C[5,6a]C[3,5]C[6a])(H)	110.0070	0.000	1	110.0070	0.000	1	109.7270	0.157	2	109.7270	0.157	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	3:4:3:	4:1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	O(C[5]C[5,6a]C[3,5]C[6a])(H)	109.4470	0.000	1	109.4470	0.000	1	109.7270	0.157	2	109.7270	0.157	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:2:	4:1:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.2957	5.976	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	105.3910	0.000	1	105.3910	0.000	1	109.1323	10.518	3	110.2957	5.976	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[6a]C[5])(H)	111.0030	0.197	2	111.0030	0.039	2	109.1323	10.518	3	110.2957	5.976	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	111.7940	0.000	1	111.7940	0.000	1	111.8060	0.000	2	110.2957	5.976	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	111.8180	0.000	1	111.8180	0.000	1	111.8060	0.000	2	110.2957	5.976	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	110.7750	0.000	1	110.7750	0.000	1	110.8535	0.012	2	110.8535	0.012	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:3:4:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[6a]C[5])(CH3)	110.9320	0.000	1	110.9320	0.000	1	110.8535	0.012	2	110.8535	0.012	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	112.6640	0.003	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(H)	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.6640	0.003	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[6a]C[5]O[5])(OH)	112.6370	0.238	2	112.6370	0.056	2	112.6370	0.056	2	112.6370	0.056	2	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	110.2670	0.000	1	110.2670	0.000	1	110.2893	0.017	3	110.2893	0.017	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	110.4310	0.000	1	110.3005	0.034	2	110.2893	0.017	3	110.2893	0.017	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	110.1700	0.000	1	110.3005	0.034	2	110.2893	0.017	3	110.2893	0.017	3	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.0610	0.000	1	111.0610	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.3420	0.000	1	106.3420	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.3480	0.000	1	112.3480	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.9630	0.000	1	112.9630	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.7840	0.000	1	110.7840	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.5800	0.000	1	112.5800	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.6110	0.000	1	109.4505	1.410	2	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[6a]C[5]2)(H)	110.2900	0.000	1	109.4505	1.410	2	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.7260	0.000	1	112.7260	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.2740	0.000	1	109.2740	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	107.7260	0.000	1	107.7260	0.000	1	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.6460	0.000	1	110.9317	6.218	3	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.0780	0.000	1	110.9317	6.218	3	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.0710	0.000	1	110.9317	6.218	3	110.5357	4.787	14	110.5357	4.787	14	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	107.4150	0.000	1	107.4150	0.000	1	108.9865	4.939	2	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	110.5580	0.000	1	110.5580	0.000	1	108.9865	4.939	2	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	111.8140	0.000	1	111.8140	0.000	1	112.3516	1.808	9	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	112.0725	0.090	2	112.0725	0.008	2	112.3516	1.808	9	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	112.3763	2.344	3	112.5342	2.763	6	112.3516	1.808	9	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	112.6920	1.156	3	112.5342	2.763	6	112.3516	1.808	9	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	111.1131	5.646	13	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	107.9720	4.432	2	107.9720	19.644	2	108.8447	12.107	3	108.4635	8.652	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CH3)	110.5900	0.000	1	110.5900	0.000	1	108.8447	12.107	3	108.4635	8.652	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:3:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	108.4635	8.652	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.4625	0.097	2	111.6538	0.093	4	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.8450	0.349	2	111.6538	0.093	4	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.1740	0.000	1	112.1740	0.000	1	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.8800	0.000	1	111.8800	0.000	1	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.8180	0.000	1	111.8180	0.000	1	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.2520	0.000	1	112.2520	0.000	1	111.8424	0.100	8	111.8424	0.100	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(SiC3)	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:4:2:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[6a]C[5]2)(H)	107.6030	1.044	6	107.6030	1.089	6	108.0834	1.599	8	108.0834	1.599	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:4:2:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.8500	0.000	1	109.8500	0.000	1	108.0834	1.599	8	108.0834	1.599	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	3:4:4:2:	3:4:2:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.1990	0.000	1	109.1990	0.000	1	108.0834	1.599	8	108.0834	1.599	8	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[3,5]C[6a]O[5])(H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[3,5]C[6a]O[5])(H)	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	111.3288	2.176	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2	O(C[5]C[4,5]C[6a]S[5])(H)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[4,5]C[6a]S[5])(H)	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	111.3288	2.176	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6,6]C[6a]O[5])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6,6]C[6a]O[5])(H)	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	111.3288	2.176	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]O[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[6a]O[5])(H)	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.3288	2.176	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(H)	112.1655	0.062	2	112.1655	0.004	2	112.1655	0.004	2	111.3288	2.176	6	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]O[5])(CH3)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[6a]O[5])(CH3)	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.7680	0.000	1	112.7680	0.000	1	110.9878	5.606	4	111.0744	4.242	5	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.8310	0.455	2	111.8310	0.207	2	110.9878	5.606	4	111.0744	4.242	5	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.5210	0.000	1	107.5210	0.000	1	110.9878	5.606	4	111.0744	4.242	5	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.0744	4.242	5	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[3,5]C[6a]C[5])(H)	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,5]C[5,6]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[5,6]C[6a])(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]O)(C[6a]C[6a]H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5]C[5,6]C[6a])(H)	107.9250	0.028	2	107.9250	0.001	2	107.9250	0.001	2	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	107.9535	0.401	2	107.9535	0.161	2	107.9535	0.161	2	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	110.4610	0.000	1	110.4610	0.000	1	111.1757	0.434	4	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[5]C[5,6]C[6a]C[5])(H)	111.4140	0.557	3	111.4140	0.310	3	111.1757	0.434	4	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	112.2695	0.766	2	112.2695	0.586	2	110.0335	7.203	4	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	108.5130	0.000	1	108.5130	0.000	1	110.0335	7.203	4	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,4|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	107.0820	0.000	1	107.0820	0.000	1	110.0335	7.203	4	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	107.4890	0.000	1	107.4890	0.000	1	109.7293	12.259	3	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	107.9350	0.000	1	107.9350	0.000	1	109.7293	12.259	3	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	113.7640	0.000	1	113.7640	0.000	1	109.7293	12.259	3	109.5464	4.579	18	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.3695	0.059	2	111.3695	0.003	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.9565	2.036	2	108.9565	4.144	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.2371	1.512	8	109.2371	2.287	8	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.0100	0.000	1	110.1685	9.318	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	112.3270	0.000	1	110.1685	9.318	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	113.5180	0.000	1	110.2815	20.950	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	107.0450	0.000	1	110.2815	20.950	2	109.7156	3.995	16	109.7156	3.995	16	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[3,5]C[6a]C[5])(H)	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	110.7338	5.509	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	112.1290	0.000	1	112.1290	0.000	1	110.4017	7.602	3	110.7338	5.509	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	111.8540	0.000	1	111.8540	0.000	1	110.4017	7.602	3	110.7338	5.509	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	107.2220	0.000	1	107.2220	0.000	1	110.4017	7.602	3	110.7338	5.509	4	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	104.8320	0.000	1	104.8320	0.000	1	107.7794	5.032	10	107.7794	5.032	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.2000	0.000	1	110.2000	0.000	1	107.7794	5.032	10	107.7794	5.032	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[6a]C[5]2)(H)	107.4630	1.600	6	107.4630	2.561	6	107.7794	5.032	10	107.7794	5.032	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.9920	3.794	2	108.9920	14.397	2	107.7794	5.032	10	107.7794	5.032	10	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	106.6378	0.425	6	106.6378	0.180	6	106.7729	0.272	9	106.7729	0.272	9	109.4155	5.818	317	109.2710	5.956	376
474	643	893	0:SP3_SP2_SP3	C[5]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	107.0430	0.687	3	107.0430	0.472	3	106.7729	0.272	9	106.7729	0.272	9	109.4155	5.818	317	109.2710	5.956	376
474	643	909	0:SP3_SP2_SP2	C[5]	C[6a]	S	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a])	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2	S(C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	S(C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]2)	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1
474	643	909	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	S	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:N[5]-3:S-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC)	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	S(C[5,6]C[6,6a]C[5,6]N[5])(CCCH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	S(C[5,6]C[6,6a]C[5,6]N[5])(CCCH)	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	108.7267	19.150	7
474	643	909	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H)	S(C[5]C[5,6a]2C[6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	S(C[5]C[5,6a]2C[6a])(CH3)	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	107.7130	14.347	6	107.7130	14.347	6	108.7267	19.150	7
474	643	909	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	S(C[5]C[5,6a]C[6a]C[5])(CCHH)	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[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	S(C[5]C[5,6a]C[6a]C[5])(CCHH)	109.4715	0.028	2	109.4715	0.001	2	106.4398	12.373	4	107.7130	14.347	6	107.7130	14.347	6	108.7267	19.150	7
474	643	909	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	S(C[5]C[5,6a]C[6a]C[5])(CF3)	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[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S(C[5]C[5,6a]C[6a]C[5])(CF3)	102.9880	0.000	1	102.9880	0.000	1	106.4398	12.373	4	107.7130	14.347	6	107.7130	14.347	6	108.7267	19.150	7
474	643	909	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	S(C[5]C[5,6a]C[6a]C[5])(CF3)	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[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	S(C[5]C[5,6a]C[6a]C[5])(CF3)	103.8280	0.000	1	103.8280	0.000	1	106.4398	12.373	4	107.7130	14.347	6	107.7130	14.347	6	108.7267	19.150	7
474	643	909	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6])	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	S(C[5]C[5,6a]C[6a]C[5])(C[6]C[6]O[6]H)	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[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	S(C[5]C[5,6a]C[6a]C[5])(C[6]C[6]O[6]H)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.7130	14.347	6	107.7130	14.347	6	108.7267	19.150	7
474	643	914	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	4:3:2:2:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N){1|H<1>,2|C<3>,3|C<4>}	105.8375	0.035	2	105.8375	0.001	2	105.8375	0.001	2	105.8375	0.001	2	108.4823	4.565	6	108.4823	4.565	6
474	643	914	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5,6]N[5,6]S[5])	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5,6]N[5,6]S[5]){2|C<4>,2|N<3>,5|C<3>}	110.0890	1.182	2	110.0890	1.398	2	110.0890	1.398	2	109.8047	0.613	4	108.4823	4.565	6	108.4823	4.565	6
474	643	914	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5a,6]N[5a,6]S[5a])	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5a,6]N[5a,6]S[5a]){1|C<4>,2|N<3>,6|C<3>}	109.5205	0.342	2	109.5205	0.117	2	109.5205	0.117	2	109.8047	0.613	4	108.4823	4.565	6	108.4823	4.565	6
474	643	924	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	Br	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Br-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br)	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2	Br(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br){10|H<1>,2|C<3>}	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	Br(C[5,5]C[5,5,6]2C[6a])	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	107.1810	12.671	2
474	643	924	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	Br	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Br(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	Br(C[5,6]C[6,6a]C[5,6]C[5])	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	107.1810	12.671	2
474	643	930	0:SP3_SP2_SP2	C[5,5]	C[6a]	C	4:4:3:3:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C-4:O-1:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO)	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2	C(C[5,5]C[5,5,6]2C[6a])(CH3)(O)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C(C[5,5]C[5,5,6]2C[6a])(CH3)(O)	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:3:2:3:	4:3:3:	4:1:1:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:O-1:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:3:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,6]N[5])(OC)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[5,6]C[6,6a]C[5,6]N[5])(OC)(O)	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.7147	4.017	3	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	110.7990	2.827	2	110.7990	7.992	2	110.7990	7.992	2	110.7147	4.017	3	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:4:3:	4:3:3:	4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:H-1:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	108.7180	0.000	1	108.7180	0.000	1	110.9225	9.720	2	110.9225	9.720	2	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C	3:4:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	113.1270	0.000	1	113.1270	0.000	1	110.9225	9.720	2	110.9225	9.720	2	110.7157	7.382	9	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6a]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C(C[5,6]C[5,6]2C[6a])(OC)(O)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]2C[6a])(OC)(O)	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	110.4888	3.487	5	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6a]	C	4:2:3:3:	4:3:3:	4:3:1:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	C(C[5,6]C[3x5,6]S[5,6]C[6a])(N[5]C[5]2)(O)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	C(C[5,6]C[3x5,6]S[5,6]C[6a])(N[5]C[5]2)(O)	111.7100	1.161	3	111.7100	1.347	3	111.7100	1.347	3	111.7100	1.347	3	110.4888	3.487	5	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5,6]	C[6a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO)	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OC)(O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OC)(O)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	110.4888	3.487	5	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:2:3:3:	4:3:3:	4:3:1:	C[6a]-3:O[5]-2:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	3:3:4:	4:2:1:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C)	C(C[5]C[6a]N[5]2)(OC)(O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]2)(OC)(O)	117.1170	0.000	1	117.1170	0.000	1	113.3683	10.547	3	113.3683	10.547	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	3:3:4:	4:2:1:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C(C[5]C[6a]N[5]2)(OC)(O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]2)(OC)(O)	111.4080	0.000	1	111.4940	0.015	2	113.3683	10.547	3	113.3683	10.547	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	3:3:4:	4:2:1:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	C(C[5]C[6a]N[5]2)(OC)(O)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]2)(OC)(O)	111.5800	0.000	1	111.4940	0.015	2	113.3683	10.547	3	113.3683	10.547	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:2:1:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	112.9470	0.000	1	112.9470	0.000	1	111.6515	3.357	2	113.2433	9.280	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:2:1:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OH)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(OH)(O)	110.3560	0.000	1	110.3560	0.000	1	111.6515	3.357	2	113.2433	9.280	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]S[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]S[5])(OC)(O)	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	113.2433	9.280	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	114.4660	0.000	1	114.4660	0.000	1	114.4660	0.000	1	113.4790	4.187	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	113.4790	4.187	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	113.4790	4.187	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:1:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	115.7960	0.000	1	115.7960	0.000	1	115.7960	0.000	1	113.4790	4.187	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	114.1280	0.000	1	114.1280	0.000	1	114.1280	0.000	1	113.9242	2.253	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:2:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C-3:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	113.8732	1.728	4	113.8732	2.987	4	113.8732	2.987	4	113.9242	2.253	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	113.4313	4.209	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(CCH)(H)	113.3570	0.000	1	113.3570	0.000	1	114.4380	2.337	2	113.4313	4.209	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]2)(CCH)(H)	115.5190	0.000	1	115.5190	0.000	1	114.4380	2.337	2	113.4313	4.209	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,5a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5a]C[6a]N[5])(OC)(O)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,5a]C[6a]N[5])(OC)(O)	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	113.1360	0.000	1	113.1360	0.000	1	113.1360	0.000	1	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	114.6810	0.000	1	114.6810	0.000	1	114.6810	0.000	1	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5]C[5,6a]C[6a]C[5])(OC)(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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	115.2610	0.000	1	115.2610	0.000	1	114.1440	2.495	2	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(O)	113.0270	0.000	1	113.0270	0.000	1	114.1440	2.495	2	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	111.0505	0.732	4	111.0505	0.536	4	111.0505	0.536	4	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[5]-3:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	112.3910	0.000	1	112.3910	0.000	1	111.6185	1.194	2	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	110.8460	0.000	1	110.8460	0.000	1	111.6185	1.194	2	112.1878	2.612	12	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	109.0970	0.000	1	109.0970	0.000	1	108.6275	0.441	2	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	108.1580	0.000	1	108.1580	0.000	1	108.6275	0.441	2	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(NCO)(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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(NCO)(O)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3: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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(N[5]C[5]2)(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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N[5]C[5]2)(O)	111.2850	0.961	4	111.2850	0.923	4	111.2850	0.923	4	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(O)	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	111.1360	0.000	1	111.1360	0.000	1	113.0915	7.648	2	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NCH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(NCH)(O)	115.0470	0.000	1	115.0470	0.000	1	113.0915	7.648	2	111.1397	4.427	11	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	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[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,5a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	110.5318	23.157	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	109.9360	0.000	1	109.9360	0.000	1	107.5197	11.944	3	110.5318	23.157	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	103.5610	0.000	1	103.5610	0.000	1	107.5197	11.944	3	110.5318	23.157	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	109.0620	0.000	1	109.0620	0.000	1	107.5197	11.944	3	110.5318	23.157	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	110.5318	23.157	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	113.0383	0.653	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:3:1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(CHH)(H)	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	113.0383	0.653	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:3:4:3:	4:3:3:	4:3:1:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NHH)(O)	113.9310	0.000	1	113.9310	0.000	1	113.9310	0.000	1	113.0383	0.653	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:2:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	109.2210	12.771	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:2:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|C<2>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	109.2210	12.771	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	109.3830	0.000	1	109.3830	0.000	1	110.4670	2.350	2	109.1637	3.256	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	111.5510	0.000	1	111.5510	0.000	1	110.4670	2.350	2	109.1637	3.256	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	107.8605	0.790	2	107.8605	0.624	2	107.8605	0.624	2	109.1637	3.256	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(CHH)(H)	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[6a]C[5]2)(CHH)(H)	111.9430	0.000	1	111.9430	0.000	1	108.7972	4.127	6	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CCH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]2)(CCH)(H)	107.8948	1.556	4	107.8948	2.422	4	108.7972	4.127	6	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]2)(CHH)(H)	109.2610	0.000	1	109.2610	0.000	1	108.7972	4.127	6	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(O)	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	109.5479	9.436	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CC[6a]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(CC[6a]HH)(O)	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.9920	5.921	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)2(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[5]C[6a]C[5]2)2(O)	110.2530	2.911	3	110.2530	8.473	3	110.2530	8.473	3	109.9920	5.921	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	109.0950	4.950	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	105.8900	0.000	1	105.8900	0.000	1	109.4387	9.445	3	109.0950	4.950	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	111.2130	0.025	2	111.2130	0.001	2	109.4387	9.445	3	109.0950	4.950	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	109.0950	4.950	5	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(CCH)(H)	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C(C[5]C[6a]C[5]N[5])(NCH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(NCH)(O)	108.2770	0.000	1	108.2770	0.000	1	110.6990	2.474	6	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	113.0930	0.000	1	113.0930	0.000	1	110.6990	2.474	6	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NHH)(O)	110.3090	0.000	1	110.7060	0.257	4	110.6990	2.474	6	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NHH)(O)	110.8383	0.530	3	110.7060	0.257	4	110.6990	2.474	6	110.3632	3.338	8	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(O)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[6a]C[5]2)(O)2	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	109.1617	3.070	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC[6a])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|Cl<1>,3|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC[6a])(O)	107.2860	0.000	1	107.2860	0.000	1	108.3645	2.326	2	109.1617	3.070	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(COO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[6a]C[5]2)(OH)(O)	109.4430	0.000	1	109.4430	0.000	1	108.3645	2.326	2	109.1617	3.070	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(CHH)(H)	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	106.8103	0.629	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(NCH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[6a]C[5]2)(NCH)(O)	105.8980	0.000	1	105.8980	0.000	1	106.6150	1.028	2	106.8103	0.629	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(NHH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CNO){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[6a]C[5]2)(NHH)(O)	107.3320	0.000	1	107.3320	0.000	1	106.6150	1.028	2	106.8103	0.629	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:3:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(CHH)(COO)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	113.1610	0.082	2	113.1610	0.007	2	113.1610	0.007	2	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	108.4890	0.000	1	108.4890	0.000	1	110.4905	4.723	4	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	109.8510	0.000	1	109.8510	0.000	1	110.4905	4.723	4	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	110.0410	0.000	1	110.0410	0.000	1	110.4905	4.723	4	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	113.5810	0.000	1	113.5810	0.000	1	110.4905	4.723	4	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	110.7180	1.047	2	110.7180	1.095	2	110.7180	1.095	2	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	113.5755	0.620	2	113.5755	0.385	2	111.3012	13.739	10	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	112.3617	3.054	6	112.3617	9.328	6	111.3012	13.739	10	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	105.8030	0.000	1	105.8030	0.000	1	111.3012	13.739	10	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	105.8880	0.000	1	105.8880	0.000	1	111.3012	13.739	10	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	105.4770	0.339	2	105.4770	0.115	2	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OH)(O)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OH)(O)	108.4360	0.000	1	108.4360	0.000	1	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	109.5350	0.000	1	107.8250	2.639	3	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	106.3020	0.000	1	107.8250	2.639	3	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	107.6380	0.000	1	107.8250	2.639	3	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	110.4050	0.167	2	110.4050	0.028	2	107.9594	4.284	8	110.3854	9.735	27	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	112.2855	0.965	2	112.2855	0.932	2	112.2855	0.932	2	111.7760	1.245	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:C-3:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	110.7570	0.000	1	110.7570	0.000	1	110.7570	0.000	1	111.7760	1.245	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	3:3:4:	4:2:1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	110.8810	1.239	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	110.8810	1.239	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(NCH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(NCH)(O)	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	111.5915	2.018	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	111.5915	2.018	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[5,5]C[6a])(OC)(O)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]C[6a])(OC)(O)	106.3580	0.000	1	106.3580	0.000	1	106.3580	0.000	1	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	105.6630	0.000	1	105.6630	0.000	1	109.6154	4.750	8	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	110.4050	0.000	2	110.2535	0.031	4	109.6154	4.750	8	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	110.1020	0.000	2	110.2535	0.031	4	109.6154	4.750	8	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	108.3090	0.000	1	108.3090	0.000	1	109.6154	4.750	8	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OH)(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OH)(O)	110.9685	3.246	2	110.9685	10.539	2	109.6154	4.750	8	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-2:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NS)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(NS)(H)	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	107.1090	0.000	1	107.1090	0.000	1	111.3886	14.370	5	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	110.8610	0.000	1	110.8610	0.000	1	111.3886	14.370	5	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	109.0170	0.000	1	109.0170	0.000	1	111.3886	14.370	5	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	114.9780	2.738	2	114.9780	7.496	2	111.3886	14.370	5	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]P[5])(OC)(O)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C(C[5]C[6a]C[5]P[5])(OC)(O)	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	110.3415	9.127	18	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	109.7283	31.982	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O){2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(O)	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	109.7283	31.982	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(NCH)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(NCH)(O)	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	109.7283	31.982	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,3|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	104.7705	0.424	2	104.7705	0.179	2	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	113.3700	0.000	1	113.3700	0.000	1	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	111.6590	0.000	1	111.6590	0.000	1	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	112.2390	0.000	1	112.2390	0.000	1	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	107.3030	0.000	1	107.3030	0.000	1	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	110.7890	0.000	1	110.7890	0.000	1	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	108.1880	1.161	2	108.1880	1.348	2	109.0308	10.169	9	109.0308	10.169	9	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(NCH)(O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(NCH)(O)	108.0700	0.180	2	108.0700	0.032	2	108.0700	0.032	2	108.0700	0.032	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	111.3005	10.751	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	111.3005	10.751	2	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	110.0095	0.702	2	109.7660	0.424	3	109.7660	0.424	3	109.7660	0.424	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	109.2790	0.000	1	109.7660	0.424	3	109.7660	0.424	3	109.7660	0.424	3	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:4:3:3:	3:3:4:	4:2:1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){3|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	107.1520	1.764	2	107.1520	3.110	2	109.6368	10.185	4	109.6368	10.185	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:4:3:3:	3:3:4:	4:2:1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	113.2940	0.000	1	113.2940	0.000	1	109.6368	10.185	4	109.6368	10.185	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:4:3:3:	3:3:4:	4:2:1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(OC)(O)	110.9490	0.000	1	110.9490	0.000	1	109.6368	10.185	4	109.6368	10.185	4	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	110.6206	8.383	172	110.5935	8.249	187
474	643	930	0:SP3_SP2_SP2	C[5]	C[6a]	C	4:4:3:3:	4:3:3:	4:4:1:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:O-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]C[5])(CH3)(O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5]C[5,6]C[6a]C[5])(CH3)(O)	107.1460	0.215	2	107.1460	0.046	2	107.1460	0.046	2	107.1460	0.046	2	110.6206	8.383	172	110.5935	8.249	187
474	643	939	0:SP3_SP2_SP2	C[5,5]	C[6a]	Ge[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:I-1:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	C[6a](C[5,5]N[5,5]Ge[5]N[5])(C[6a]C[6a]H)2	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[5,5]N[5,5]Ge[5]N[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	110.4810	0.526	2	110.4810	0.277	2	110.4810	0.277	2	110.4810	0.277	2	110.4810	0.277	2	110.4810	0.277	2
474	643	941	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N	3:4:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	109.5990	0.000	1	108.9400	0.869	2	108.9400	0.869	2	108.9400	0.869	2	108.9400	0.869	2	109.7583	2.443	3
474	643	941	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N	3:4:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	108.2810	0.000	1	108.9400	0.869	2	108.9400	0.869	2	108.9400	0.869	2	108.9400	0.869	2	109.7583	2.443	3
474	643	941	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(CS)	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[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CS)	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	109.7583	2.443	3
474	643	944	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	I	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:I-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I)	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2	I(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I){10|H<1>,2|C<3>}	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	I(C[5,5]C[5,5,6]2C[6a])	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1
474	643	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,3x6]C[6,6,6a]C[5,6,6]2)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]N[5,5,6]C[6a])	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	108.9374	1.557	5	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2C[6a])	108.8920	0.000	1	108.4883	1.898	3	108.5995	1.315	4	108.5995	1.315	4	108.9374	1.557	5	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){2|C<3>,6|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2C[6a])	108.2865	1.884	2	108.4883	1.898	3	108.5995	1.315	4	108.5995	1.315	4	108.9374	1.557	5	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]2C[6a])	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|C<4>}	H(C[5,5]C[5,5,6]2C[6a])	108.9330	0.000	1	108.9330	0.000	1	108.5995	1.315	4	108.5995	1.315	4	108.9374	1.557	5	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6,6]C[6,6,6a]C[5,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[5,6,6]C[6,6,6a]C[5,6]2)	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:2:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	H(C[5,6,6]C[5,5,3x6]C[6,6a]C[5,6])	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.6546	0.721	5	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	112.1030	0.000	1	112.1030	0.000	1	110.7913	1.366	3	110.6546	0.721	5	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|W<6>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	110.4100	0.000	1	110.4100	0.000	1	110.7913	1.366	3	110.6546	0.721	5	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[6,6a]C[5,6])	109.8610	0.000	1	109.8610	0.000	1	110.7913	1.366	3	110.6546	0.721	5	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	110.6546	0.721	5	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8640	0.000	1	107.8640	0.000	1	109.2196	1.766	5	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.0760	0.000	1	110.0760	0.000	1	109.2196	1.766	5	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.8320	0.000	1	107.8320	0.000	1	109.2196	1.766	5	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	109.5350	0.000	1	109.5350	0.000	1	109.2196	1.766	5	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	110.7910	0.000	1	110.7910	0.000	1	109.2196	1.766	5	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	109.7085	0.183	4	109.7085	0.033	4	109.1338	0.814	6	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	107.9340	0.000	1	107.9340	0.000	1	109.1338	0.814	6	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6a])	108.0350	0.000	1	108.0350	0.000	1	109.1338	0.814	6	109.1728	1.115	11	109.4781	1.772	17	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]C[6a])	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	H(C[5,6]C[6,6a]O[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	110.3805	0.065	4	110.3805	0.004	4	110.5230	0.125	14	110.5230	0.125	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[6,6a]O[5,6]O[5])	110.3140	0.000	1	110.4587	0.022	9	110.5230	0.125	14	110.5230	0.125	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	110.4767	0.146	8	110.4587	0.022	9	110.5230	0.125	14	110.5230	0.125	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]O[5])	111.6720	0.000	1	111.6720	0.000	1	110.5230	0.125	14	110.5230	0.125	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:3:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.9455	0.099	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:3:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]N[5])	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.9455	0.099	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	3:4:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.9440	0.000	1	110.9440	0.000	1	110.7945	0.045	2	110.7945	0.045	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	3:4:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.6450	0.000	1	110.6450	0.000	1	110.7945	0.045	2	110.7945	0.045	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.6640	0.000	1	110.6640	0.000	1	110.6155	0.113	6	110.6155	0.113	6	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	111.0860	0.000	1	111.0860	0.000	1	110.6155	0.113	6	110.6155	0.113	6	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.6300	0.000	1	110.6300	0.000	1	110.6155	0.113	6	110.6155	0.113	6	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.8160	0.000	1	110.8160	0.000	1	110.6155	0.113	6	110.6155	0.113	6	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	H(C[5,6]C[6,6a]O[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]C[5])	110.2485	0.183	2	110.2485	0.034	2	110.6155	0.113	6	110.6155	0.113	6	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.9590	0.250	2	109.9590	0.063	2	109.9590	0.063	2	111.4493	6.695	3	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	111.4493	6.695	3	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	113.5765	0.018	2	113.5765	0.000	2	113.5765	0.000	2	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	111.8130	0.000	1	111.8130	0.000	1	109.5316	1.962	5	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	108.9680	0.000	1	108.6467	0.078	3	109.5316	1.962	5	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]O[5])	108.4860	0.021	2	108.6467	0.078	3	109.5316	1.962	5	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5,6]C[6,6a]N[5,6]O[5])	109.9050	0.000	1	109.9050	0.000	1	109.5316	1.962	5	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]N[5])	112.7450	0.000	1	113.3640	0.766	2	113.3640	0.766	2	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]O[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]O[5,6]N[5])	113.9830	0.000	1	113.3640	0.766	2	113.3640	0.766	2	111.2821	5.392	9	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	109.9680	0.419	4	109.9680	0.175	4	109.5033	0.432	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.9665	0.087	2	108.8837	0.024	3	109.5033	0.432	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.7180	0.000	1	108.8837	0.024	3	109.5033	0.432	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8940	0.000	1	109.8940	0.000	1	109.4250	0.440	2	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9560	0.000	1	108.9560	0.000	1	109.4250	0.440	2	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.4430	0.000	1	108.4430	0.000	1	109.1275	1.667	4	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.2090	0.081	2	110.2090	0.006	2	109.1275	1.667	4	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6490	0.000	1	107.6490	0.000	1	109.1275	1.667	4	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.4530	0.000	1	109.6035	0.045	2	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.7540	0.000	1	109.6035	0.045	2	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.1160	0.000	1	109.1160	0.000	1	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.0120	0.000	1	110.1135	0.021	2	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.2150	0.000	1	110.1135	0.021	2	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|S<4>}	H(C[5,6]C[6,6a]N[5,6]N[5])	109.9800	0.000	1	109.9800	0.000	1	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]N[5])	110.7830	0.000	1	110.7830	0.000	1	109.9019	0.289	7	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:S[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H)	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]S[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]S[5])	108.7440	0.000	2	108.7440	0.000	2	108.7440	0.000	2	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]N[5,5,6]C[6,6a]N[5])	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]N[5,5,6]C[6,6a]N[5])	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[5,6]N[5,6,6]C[6,6a]C[5])	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]N[5,6,6]C[6,6a]C[5])	107.5000	0.153	2	107.5000	0.023	2	107.5000	0.023	2	109.2457	0.863	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[6,6a]C[5,6]2)	112.5450	0.000	1	112.5450	0.000	1	111.3313	2.236	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	110.7245	1.504	2	110.7245	2.262	2	111.3313	2.236	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7630	0.000	1	108.2163	1.817	3	108.2163	1.817	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.4430	0.212	2	108.2163	1.817	3	108.2163	1.817	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.5440	0.232	3	109.5440	0.054	3	109.5440	0.054	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.6840	0.000	2	110.6840	0.000	2	110.6840	0.000	2	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.1900	0.000	1	107.1900	0.000	1	107.9803	0.496	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3755	0.235	2	108.3755	0.055	2	107.9803	0.496	3	109.6742	2.865	16	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	110.5230	0.154	2	110.5230	0.024	2	110.5230	0.024	2	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.8100	0.474	2	109.8100	0.224	2	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.0970	0.000	1	108.0970	0.000	1	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.9010	0.000	1	109.9010	0.000	1	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.3115	0.422	4	109.0868	0.386	5	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.1880	0.000	1	109.0868	0.386	5	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	111.1640	0.000	1	111.1640	0.000	1	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.0890	0.000	2	108.0890	0.000	2	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	113.6710	0.000	1	113.6710	0.000	1	109.5435	2.422	13	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.2825	0.223	6	112.2825	0.050	6	111.6820	2.565	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0790	0.000	1	108.0790	0.000	1	111.6820	2.565	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.4420	0.000	1	109.4420	0.000	1	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.6610	0.000	1	109.0170	1.384	3	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.7670	0.000	1	109.0170	1.384	3	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	109.6230	0.000	1	109.0170	1.384	3	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	107.5310	0.000	1	107.5310	0.000	1	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,5])	110.2510	0.000	1	110.2510	0.000	1	109.0458	1.335	6	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.4230	0.000	1	107.4230	0.000	1	107.9047	1.159	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	106.6640	0.000	1	108.0138	1.664	5	107.9047	1.159	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.3513	1.208	4	108.0138	1.664	5	107.9047	1.159	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.8410	0.000	1	107.8410	0.000	1	107.9047	1.159	7	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.4040	0.000	1	108.9883	2.698	3	108.9883	2.698	3	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	110.3830	0.000	1	108.9883	2.698	3	108.9883	2.698	3	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.1780	0.000	1	108.9883	2.698	3	108.9883	2.698	3	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.3420	0.000	1	108.3420	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.8750	0.000	1	106.8750	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.9150	0.000	1	106.9150	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.7840	0.000	1	110.7840	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.4650	0.000	1	111.4650	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	111.8820	0.000	1	111.8820	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6200	0.000	1	107.6200	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7920	0.000	1	108.8160	3.752	4	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.1830	0.000	1	108.8160	3.752	4	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.5150	0.000	1	108.8160	3.752	4	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.7740	0.000	1	108.8160	3.752	4	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6340	0.000	1	107.6340	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.7580	0.000	1	109.7580	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.8070	0.000	1	109.1650	0.256	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.5230	0.000	1	109.1650	0.256	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5240	0.000	1	108.5240	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.4770	0.000	1	109.4770	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.6580	0.081	2	109.6580	0.006	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.5130	0.000	1	108.5130	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.2000	0.000	1	109.2000	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.4160	0.000	1	110.4160	0.000	1	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.4760	0.000	2	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.5590	0.000	1	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.2540	0.300	2	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.8440	0.000	1	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.9060	0.000	1	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7160	0.467	2	107.8001	0.747	9	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.7550	0.042	2	108.7550	0.002	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3417	0.319	3	110.3417	0.102	3	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.2380	0.000	1	109.8020	0.636	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	110.3660	0.000	1	109.8020	0.636	2	108.9120	1.968	38	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[5,6]N[5,6,6]C[6,6a]C[5])	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6,6]C[6,6a]C[5])	108.3985	0.056	2	108.3985	0.003	2	108.3985	0.003	2	109.2168	2.609	78	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0910	0.010	2	109.0910	0.000	2	109.0910	0.000	2	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.0480	0.000	1	111.0480	0.000	1	109.2510	1.541	4	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.6615	0.564	2	108.6615	0.318	2	109.2510	1.541	4	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.6330	0.000	1	108.6330	0.000	1	109.2510	1.541	4	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.3103	0.422	3	108.9305	0.257	6	108.9305	0.257	6	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.5507	0.179	3	108.9305	0.257	6	108.9305	0.257	6	109.0641	0.560	12	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:2:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.6418	0.402	4	109.6418	0.161	4	109.6418	0.161	4	109.6418	0.161	4	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	110.8050	0.000	1	110.8050	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	110.9610	0.000	1	110.9610	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.5430	0.000	1	111.5430	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	111.5800	0.000	1	111.5800	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	108.5960	0.000	1	108.5960	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.9590	0.146	3	109.5082	0.407	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0573	0.622	3	109.5082	0.407	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2830	0.000	1	109.2830	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]O[5])	107.3940	0.000	1	107.3940	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0550	0.000	1	109.3807	0.236	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.4430	0.000	1	109.3807	0.236	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	110.2660	0.000	1	109.3807	0.236	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0585	0.279	2	109.3807	0.236	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.4030	0.000	1	109.3807	0.236	6	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2255	0.272	2	109.2255	0.074	2	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.8260	0.000	1	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0440	0.000	1	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2220	0.000	1	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.4120	0.000	1	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7430	0.334	3	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.1635	0.253	4	109.3988	0.133	11	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7470	0.000	1	109.7470	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.2330	0.000	1	109.2330	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7030	0.000	1	109.6540	0.005	2	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.6050	0.000	1	109.6540	0.005	2	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	107.7780	0.283	2	107.7780	0.080	2	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.6950	0.000	1	109.6950	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.7120	0.000	1	109.7120	0.000	1	109.4646	0.739	40	109.4646	0.739	40	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.6150	2.260	2	108.6150	5.107	2	108.8487	1.054	11	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.2590	0.000	1	109.4230	0.054	2	108.8487	1.054	11	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.5870	0.000	1	109.4230	0.054	2	108.8487	1.054	11	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.7514	0.870	7	108.7514	0.757	7	108.8487	1.054	11	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.6810	0.000	1	108.6110	0.010	2	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.5410	0.000	1	108.6110	0.010	2	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.2630	0.000	1	108.2630	0.000	1	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.5850	0.000	1	109.3120	0.482	10	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.1530	1.009	5	109.3120	0.482	10	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4680	0.000	2	109.3120	0.482	10	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4170	0.000	2	109.3120	0.482	10	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3020	0.000	1	109.3020	0.000	1	109.1362	0.462	14	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7752	0.172	5	109.7752	0.030	5	109.5578	0.307	6	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.4710	0.000	1	108.4710	0.000	1	109.5578	0.307	6	109.1158	0.668	31	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	106.6005	0.554	2	106.6005	0.307	2	106.6005	0.307	2	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[3,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[3,5]N[5,6])	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.6070	0.000	1	108.6070	0.000	1	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.4740	0.000	1	109.0545	0.674	2	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.6350	0.000	1	109.0545	0.674	2	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.2895	0.134	2	108.2583	0.007	4	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	108.2270	0.000	2	108.2583	0.007	4	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.5550	0.000	1	107.5550	0.000	1	108.4130	0.341	8	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.1390	0.000	1	113.1390	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.0080	0.000	1	113.0080	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.0820	0.000	1	113.0820	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.1820	0.000	1	111.1820	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	113.4720	0.000	1	113.4720	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.8070	0.000	1	109.8070	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.3300	0.171	2	109.9089	0.916	7	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.0290	0.000	1	109.9089	0.916	7	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.1720	1.967	2	109.9089	0.916	7	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.1645	0.114	2	109.9089	0.916	7	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1200	0.000	1	107.1200	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0180	0.395	3	109.5202	0.567	5	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.4510	0.000	1	109.5202	0.567	5	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.0960	0.000	1	109.5202	0.567	5	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.2520	0.062	2	107.2520	0.004	2	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	103.9930	0.000	1	103.9930	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3250	0.000	1	108.3250	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.3950	0.000	1	110.3950	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8890	0.000	1	107.8890	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.7670	0.000	1	108.7670	0.000	1	109.6787	4.664	26	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9000	0.757	3	108.6517	0.380	6	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.4860	0.000	1	108.6517	0.380	6	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.7940	0.000	1	108.6517	0.380	6	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.9300	0.000	1	108.6517	0.380	6	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	107.7790	0.000	1	107.7790	0.000	1	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.3110	0.414	2	109.3110	0.172	2	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.7630	0.000	1	109.7630	0.000	1	108.8074	0.522	10	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.4350	0.000	1	111.4350	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	112.5250	0.000	1	112.5250	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	111.9730	0.000	1	111.9730	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.5430	0.000	1	110.5430	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.6210	0.000	1	109.6210	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9510	0.652	2	108.9510	0.425	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2090	0.000	1	109.2090	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7290	0.000	1	109.6670	0.116	4	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2040	0.000	1	109.6670	0.116	4	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8675	0.220	2	109.6670	0.116	4	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.3420	0.000	1	108.3420	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.9580	0.000	1	109.1108	0.525	5	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8370	0.000	1	109.1108	0.525	5	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.5863	0.126	3	109.1108	0.525	5	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.0122	0.231	4	110.0122	0.053	4	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.8920	0.639	2	108.8920	0.409	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.4750	0.000	1	108.4750	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.2390	0.000	1	108.8217	0.293	3	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3090	0.000	1	108.8217	0.293	3	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.9170	0.000	1	108.8217	0.293	3	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.2365	0.019	2	109.2365	0.000	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.3310	0.000	1	109.8985	0.374	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.4660	0.000	1	109.8985	0.374	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3290	0.000	1	109.3290	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	107.8820	0.456	4	107.8820	0.208	4	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.8070	0.000	1	109.9720	0.054	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.1370	0.000	1	109.9720	0.054	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.7800	0.187	2	108.7800	0.035	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.7235	0.504	2	109.7235	0.254	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	108.8650	0.000	1	108.8650	0.000	1	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.3075	0.127	2	109.3075	0.016	2	109.3935	1.003	46	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	109.0320	0.000	1	109.0320	0.000	1	108.1655	0.481	4	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	107.6050	0.010	2	107.8767	0.221	3	108.1655	0.481	4	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	108.4200	0.000	1	107.8767	0.221	3	108.1655	0.481	4	109.2056	2.126	97	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	110.2220	0.031	2	109.8046	0.175	5	109.3069	3.297	8	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	109.5263	0.242	3	109.8046	0.175	5	109.3069	3.297	8	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	111.9730	0.000	1	111.9730	0.000	1	109.3069	3.297	8	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[6,6a]C[5,6]2)	106.7295	0.866	2	106.7295	0.750	2	109.3069	3.297	8	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.4560	0.000	1	107.1300	0.909	2	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8040	0.000	1	107.1300	0.909	2	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.6010	0.000	1	108.6010	0.000	1	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0100	0.099	2	108.0100	0.010	2	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.2565	0.404	2	110.2565	0.163	2	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.4020	0.006	2	109.4020	0.000	2	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1450	0.000	1	107.1450	0.000	1	108.5343	1.661	10	108.8777	2.393	18	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1570	0.000	1	107.1570	0.000	1	109.6286	7.169	5	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.0830	0.000	1	108.0830	0.000	1	109.6286	7.169	5	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.8270	0.000	1	107.8270	0.000	1	109.6286	7.169	5	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.5840	0.000	1	112.5840	0.000	1	109.6286	7.169	5	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.4920	0.000	1	112.4920	0.000	1	109.6286	7.169	5	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3870	0.109	3	108.3520	0.013	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2470	0.000	1	108.3520	0.013	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3370	0.000	1	108.3370	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.6580	0.000	1	106.6580	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.9340	0.000	1	110.9340	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.5340	0.000	1	111.5340	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9730	0.000	1	112.9730	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9500	0.000	1	112.9017	0.007	3	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.9480	0.000	1	112.9017	0.007	3	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	112.8070	0.000	1	112.9017	0.007	3	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.6120	0.000	1	107.6120	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.2060	0.000	1	109.2060	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.7605	0.152	2	107.7605	0.023	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.7010	0.000	1	106.7010	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.7390	1.440	3	108.7390	2.073	3	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	105.9840	0.000	1	105.9840	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2260	0.000	1	108.2260	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3330	0.000	1	108.3330	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.7500	0.000	1	107.7500	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	106.4170	0.000	1	106.4170	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.9855	0.052	2	107.9690	0.004	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0110	0.000	1	107.9690	0.004	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.8940	0.000	1	107.9690	0.004	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.2730	0.000	1	108.2730	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.9517	1.385	3	108.9517	1.919	3	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1310	0.000	1	108.4995	0.272	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.8680	0.000	1	108.4995	0.272	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0270	0.204	2	108.0270	0.041	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1360	0.044	2	108.1360	0.002	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.1590	0.000	1	107.9045	0.130	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.6500	0.000	1	107.9045	0.130	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.4870	0.000	1	108.4870	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.0040	0.000	1	109.0040	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.3450	0.604	2	108.3450	0.365	2	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.4580	0.369	2	108.2338	0.202	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	108.0095	0.518	2	108.2338	0.202	4	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	111.8340	0.000	1	111.8340	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.6500	0.000	1	110.6500	0.000	1	108.7501	2.794	51	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5])	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]N[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[6,6a]N[5,6]C[5])	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	108.7785	3.075	59	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	108.9115	0.012	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.9115	0.012	2	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,3x6]C[6,6a]O[5])	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6,6a]O[5])	108.9170	0.479	2	108.9170	0.230	2	108.9170	0.230	2	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[6,6a]O[5])	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	108.5965	0.080	2	108.5965	0.006	2	109.1124	1.153	5	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	108.5890	0.000	1	108.5890	0.000	1	109.1124	1.153	5	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6a]O[5])	109.8900	1.609	2	109.8900	2.590	2	109.1124	1.153	5	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.6285	0.278	2	108.6285	0.077	2	108.3512	0.280	4	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	107.5970	0.000	1	107.5970	0.000	1	108.3512	0.280	4	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[5,6]C[5,6,6]C[6,6a]O[5])	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6,6a]O[5])	108.5510	0.000	1	108.5510	0.000	1	108.3512	0.280	4	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5,6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5,6])	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]O[5])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]O[5])	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	108.9539	0.877	14	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.7335	0.050	2	112.7335	0.003	2	112.2360	3.493	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.9765	0.054	2	112.9765	0.003	2	112.2360	3.493	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	113.5280	0.000	1	113.5280	0.000	1	112.2360	3.493	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	108.4680	0.000	1	108.4680	0.000	1	112.2360	3.493	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	108.5410	0.000	1	108.5410	0.000	1	110.3140	7.077	3	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	113.3730	0.000	1	113.3730	0.000	1	110.3140	7.077	3	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	109.0280	0.000	1	109.0280	0.000	1	110.3140	7.077	3	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	109.7940	0.000	1	109.7940	0.000	1	108.5070	3.313	2	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]N[5])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[6,6a]N[5])	107.2200	0.000	1	107.2200	0.000	1	108.5070	3.313	2	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	107.2890	0.000	1	107.2890	0.000	1	108.2270	1.760	2	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]N[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,5]N[5,6])	109.1650	0.000	1	109.1650	0.000	1	108.2270	1.760	2	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	108.9020	0.478	2	109.0538	0.208	6	109.0538	0.208	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.2485	0.296	2	109.0538	0.208	6	109.0538	0.208	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5,6])	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[6,6a]C[5,6]N[5,6])	109.0110	0.772	2	109.0538	0.208	6	109.0538	0.208	6	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[6,6a]C[5,6]N[5])	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.9539	4.276	22	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[6,6a]C[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6,6a]C[5])	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	108.3473	2.475	7	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	108.3790	0.000	1	108.3790	0.000	1	108.7095	3.637	4	108.3473	2.475	7	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]2)	111.4320	0.000	1	111.4320	0.000	1	108.7095	3.637	4	108.3473	2.475	7	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]2)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5,6]C[6,6a]C[5,6]2)	107.5135	0.728	2	107.5135	0.529	2	108.7095	3.637	4	108.3473	2.475	7	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	107.1925	0.062	2	107.1925	0.004	2	107.1925	0.004	2	108.3473	2.475	7	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[3x5,6]C[6,6a]C[5])	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3x5,6]C[6,6a]C[5])	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[3x5]C[5,6])	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[6,6a]C[3x5]C[5,6])	108.7720	1.124	2	108.7720	1.264	2	108.7720	1.264	2	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3120	0.000	1	106.8130	0.498	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.3140	0.000	1	106.8130	0.498	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.2440	0.000	1	112.2440	0.000	1	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	106.6510	0.000	1	107.0962	0.097	4	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.1785	0.029	2	107.0962	0.097	4	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3770	0.000	1	107.0962	0.097	4	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	112.8260	0.000	1	112.9565	0.034	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	113.0870	0.000	1	112.9565	0.034	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.3980	0.000	1	108.3980	0.000	1	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.5100	0.130	2	107.5100	0.017	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.1400	0.000	1	108.0820	0.007	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.0240	0.000	1	108.0820	0.007	2	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	107.3590	1.155	2	107.7107	1.038	3	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,5]C[5,6])	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[6,6a]C[5,5]C[5,6])	108.4140	0.000	1	107.7107	1.038	3	108.4048	4.642	17	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	108.1270	0.240	2	108.1270	0.058	2	108.6063	0.718	3	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[6,6a]C[5])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[6,6a]C[5])	109.5650	0.000	1	109.5650	0.000	1	108.6063	0.718	3	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5,6]C[6,6a]C[5,6]C[5])	110.8770	0.000	1	110.8770	0.000	1	110.0930	1.229	2	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[5,6]C[6,6a]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[6,6a]C[5,6]C[5])	109.3090	0.000	1	109.3090	0.000	1	110.0930	1.229	2	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[5,6]N[5,5,6]C[6,6a]C[5,6])	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,5,6]C[6,6a]C[5,6])	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	108.5313	3.441	26	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6a]	H	4:4:3:1:	4:3:2:	4:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6]-4:	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	H(C[5,6]N[5,6,6]C[6,6a]C[5,6])	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,6]N[5,6,6]C[6,6a]C[5,6])	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	109.2844	2.387	490	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5,6]N[5,6]2C[6a])	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6a](C[5,6]N[5,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]2C[6a])	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:2:3:1:	4:3:3:	4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[3x5,6]S[5,6]C[6a])	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]S[5,6]C[6a])	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.2331	0.362	8	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:2:3:1:	4:3:3:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.6060	0.000	1	109.6060	0.000	1	109.5823	0.002	4	109.2331	0.362	8	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:2:3:1:	4:3:3:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.6220	0.000	1	109.6220	0.000	1	109.5823	0.002	4	109.2331	0.362	8	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:2:3:1:	4:3:3:	4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]O[5,6]C[6a])	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]O[5,6]C[6a])	109.5505	0.035	2	109.5505	0.001	2	109.5823	0.002	4	109.2331	0.362	8	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:2:3:1:	4:3:3:	4:	P[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]P[5,5,6]O[5,6]C[6a])	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]P[5,5,6]O[5,6]C[6a])	108.8023	0.858	3	108.8023	0.737	3	108.8023	0.737	3	109.2331	0.362	8	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.8990	0.544	3	108.8990	0.295	3	108.8990	0.295	3	109.1435	0.436	4	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]N[5,6]C[6a])	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]C[6a])	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.1435	0.436	4	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.6030	0.000	1	108.8505	0.123	2	108.8505	0.123	2	108.8505	0.123	2	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	109.0980	0.000	1	108.8505	0.123	2	108.8505	0.123	2	108.8505	0.123	2	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7620	0.000	1	108.7620	0.000	1	106.8175	7.562	2	106.8175	7.562	2	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.8730	0.000	1	104.8730	0.000	1	106.8175	7.562	2	106.8175	7.562	2	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	102.7440	0.000	1	102.7440	0.000	1	102.7440	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6,6]C[5,6]C[6a])	104.2190	0.000	1	104.2190	0.000	1	104.2190	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2C[6a])	106.2560	0.400	4	106.2560	0.160	4	106.1314	0.198	5	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]2C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]2C[6a])	105.6330	0.000	1	105.6330	0.000	1	106.1314	0.198	5	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|As<4>,1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.2300	0.000	1	107.2300	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7340	0.000	1	108.7340	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1240	0.000	1	107.2670	1.469	2	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.4100	0.000	1	107.2670	1.469	2	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.3410	0.000	1	105.3410	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.6815	0.159	2	106.5913	2.496	3	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.4110	0.000	1	106.5913	2.496	3	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.6780	0.000	1	107.3170	0.571	3	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.6365	0.728	2	107.3170	0.571	3	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.3410	0.000	1	108.3410	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3710	0.000	1	107.3710	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.3710	0.000	1	107.7488	0.051	5	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.8432	0.092	4	107.7488	0.051	5	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.5817	1.359	3	107.5817	1.847	3	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1900	0.000	1	108.1900	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	104.6840	0.000	1	104.6840	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.4490	0.000	1	107.4490	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.7240	0.000	1	107.7240	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1970	0.748	2	108.1970	0.560	2	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	110.3090	0.000	1	110.3090	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	105.2900	0.000	1	105.2900	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.1350	0.000	1	107.1350	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.7480	0.000	1	108.7480	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.9380	0.109	2	106.9380	0.012	2	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	106.8060	0.000	1	106.8060	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.9030	0.000	1	107.9030	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.5130	0.000	1	108.5130	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	109.0780	0.000	1	109.0780	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	108.1340	0.000	1	108.1340	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.8975	0.427	4	107.8975	0.183	4	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6]C[6a])	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6a])	107.5840	0.000	1	107.5840	0.000	1	107.5389	1.245	43	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]P[5,5,6]C[6a])	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]P[5,5,6]C[6a])	108.5045	4.115	2	108.5045	16.930	2	108.5045	16.930	2	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.0400	0.000	1	108.0400	0.000	1	108.2763	0.093	4	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.1700	0.014	2	108.1700	0.000	2	108.2763	0.093	4	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]P[5,6]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|W<6>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]P[5,6]C[6a])	108.7250	0.000	1	108.7250	0.000	1	108.2763	0.093	4	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]C[6a])	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6a])	107.8100	0.274	2	107.8100	0.075	2	108.7131	0.481	7	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6a])	109.4520	0.141	2	109.4520	0.020	2	108.7131	0.481	7	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6a])	108.8360	0.000	1	108.8360	0.000	1	108.7131	0.481	7	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6a])	108.9350	0.000	1	108.9350	0.000	1	108.7131	0.481	7	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5,6]C[5,6]2C[6a])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2C[6a])	108.6970	0.000	1	108.6970	0.000	1	108.7131	0.481	7	107.4295	2.110	67	107.7297	2.303	84	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	2:2:3:1:	3:3:4:	4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.3600	0.000	1	109.3600	0.000	1	109.8568	1.103	6	109.8568	1.103	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	2:2:3:1:	3:3:4:	4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.6130	0.992	3	109.9562	1.305	5	109.8568	1.103	6	109.8568	1.103	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	2:2:3:1:	3:3:4:	4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	108.9710	0.122	2	109.9562	1.305	5	109.8568	1.103	6	109.8568	1.103	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	2:3:2:1:	3:3:4:	4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	2:3:4:1:	4:3:3:	4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2648	0.352	4	109.2648	0.124	4	109.2648	0.124	4	109.2648	0.124	4	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]2)	110.0650	0.273	2	110.0650	0.074	2	110.0650	0.074	2	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.2054	0.895	5	110.2054	0.801	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.9960	0.000	1	110.0016	2.173	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	108.9040	1.889	2	110.0016	2.173	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.8940	0.000	1	110.0016	2.173	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	111.3100	0.000	1	110.0016	2.173	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.4915	0.234	2	109.4696	2.086	7	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.2385	1.956	4	109.4696	2.086	7	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.3500	0.000	1	109.4696	2.086	7	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	110.1305	0.527	2	110.0623	0.153	3	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.9260	0.000	1	110.0623	0.153	3	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.2340	0.000	1	109.2340	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]O[5]2)	109.1060	0.000	1	109.1060	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[6a]O[5]2)	106.9460	0.000	1	109.0920	3.708	3	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.1650	0.713	2	109.0920	3.708	3	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	106.4990	0.000	1	108.2160	5.896	2	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.9330	0.000	1	108.2160	5.896	2	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	108.7980	0.000	1	108.7980	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.1760	0.000	1	110.1760	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.1100	0.000	1	110.1100	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.6550	0.000	1	109.8905	0.500	4	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.9690	0.844	3	109.8905	0.500	4	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.2340	0.000	1	110.2340	0.000	1	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.6420	0.000	1	109.9932	0.230	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.0810	0.505	4	109.9932	0.230	5	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.6020	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.4520	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.3120	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.9540	0.102	2	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.4390	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.8561	0.480	8	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.8820	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.6350	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	110.1030	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[6a]O[5]2)	109.5350	0.000	1	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.4110	1.802	5	109.7727	0.748	23	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[6a]O[5]2)	109.7700	0.000	2	109.7700	0.000	2	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.1255	0.118	2	109.1255	0.014	2	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H)	H(C[5]C[6a]O[5]2)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]2)	109.5175	0.554	2	109.5175	0.307	2	109.7102	1.011	69	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H)	H(C[5]C[6a]S[5]2)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]S[5]2H){2|C<3>,2|C<4>}	H(C[5]C[6a]S[5]2)	107.7610	0.000	1	107.7610	0.000	1	107.6855	0.011	2	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H)	H(C[5]C[6a]S[5]2)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]S[5]2H){1|C<3>,1|N<3>,3|C<4>}	H(C[5]C[6a]S[5]2)	107.6100	0.000	1	107.6100	0.000	1	107.6855	0.011	2	109.6644	1.071	73	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	4:3:3:	4:	C[6a]-3:N[5]-2:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.9415	0.243	2	109.9415	0.059	2	109.9415	0.059	2	109.4993	0.616	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:2:1:	4:3:3:	4:	C[6a]-3:O[5]-2:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.4993	0.616	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0225	0.585	21	109.0225	0.342	21	109.0766	0.466	26	109.0878	0.451	27	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7227	0.294	3	109.7227	0.086	3	109.0766	0.466	26	109.0878	0.451	27	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6750	1.732	2	108.6750	3.001	2	109.0766	0.466	26	109.0878	0.451	27	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[5]-2:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]S[5])	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.0878	0.451	27	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|As<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6345	0.115	2	108.6345	0.013	2	108.5937	0.012	3	108.5937	0.012	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5120	0.000	1	108.5120	0.000	1	108.5937	0.012	3	108.5937	0.012	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H){2|H<1>,8|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	108.8523	0.710	7	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.8340	0.000	1	109.8340	0.000	1	109.1490	0.938	2	108.8523	0.710	7	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	108.4640	0.000	1	108.4640	0.000	1	109.1490	0.938	2	108.8523	0.710	7	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H){2|H<1>,3|C<4>,5|C<3>}	H(C[5]C[6a]N[5]O[5])	108.7267	0.063	3	108.7267	0.004	3	108.7267	0.004	3	108.8523	0.710	7	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:S[5]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H)	H(C[5]C[6a]S[5]2)	C[5](C[6a]C[6a]2)(S[5]C[5]O)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]S[5]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[6a]S[5]2)	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	108.8523	0.710	7	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]C[6a]O[5])	108.8700	0.110	2	108.8700	0.012	2	108.4880	0.444	3	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	107.7240	0.000	1	107.7240	0.000	1	108.4880	0.444	3	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,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,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.1695	0.084	2	108.1695	0.007	2	108.1695	0.007	2	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	113.0690	0.000	1	113.0005	0.009	2	111.0343	5.177	4	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]O[5])	112.9320	0.000	1	113.0005	0.009	2	111.0343	5.177	4	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0680	0.236	2	109.0680	0.056	2	111.0343	5.177	4	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[6a]N[5]O[5])	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	109.1380	0.000	1	109.1380	0.000	1	108.7240	0.343	2	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	3:4:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]N[5]S[5]H)(C[6a]O[6a]H){1|C<4>,4|C<3>}	H(C[5]C[6a]N[5]S[5])	108.3100	0.000	1	108.3100	0.000	1	108.7240	0.343	2	109.3934	2.813	14	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:2:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]S[5])	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.7050	0.523	8	109.7050	0.273	8	109.7050	0.273	8	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.3040	0.000	1	109.3040	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(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]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	107.9620	0.000	1	107.9620	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(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])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.8200	0.000	1	109.8200	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	H(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])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.3530	0.000	1	108.3530	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(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])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.4880	0.000	1	110.2500	4.008	3	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(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])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.7410	0.000	1	110.2500	4.008	3	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(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])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	112.5210	0.000	1	110.2500	4.008	3	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(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])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.6930	0.000	1	108.6930	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.4967	0.331	4	109.3522	0.092	8	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.9060	0.000	1	109.3522	0.092	8	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3: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])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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])(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.3083	0.121	3	109.3522	0.092	8	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.2580	0.000	1	108.3247	0.024	3	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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]P[5])(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.3580	0.204	2	108.3247	0.024	3	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.3570	0.000	1	108.7005	0.236	2	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.0440	0.000	1	108.7005	0.236	2	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	H(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]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.7910	0.000	1	108.7910	0.000	1	109.1303	0.867	22	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2160	0.000	1	109.2160	0.000	1	107.0537	14.288	3	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	102.6890	0.000	1	105.9725	21.563	2	107.0537	14.288	3	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.2560	0.000	1	105.9725	21.563	2	107.0537	14.288	3	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	110.2427	1.498	6	110.2427	2.243	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.3420	0.000	1	108.9415	0.321	2	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.5410	0.000	1	108.9415	0.321	2	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9980	0.000	1	109.5507	0.104	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7845	0.060	2	109.5507	0.104	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6220	0.000	1	109.5507	0.104	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7790	0.000	1	109.5507	0.104	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3360	0.000	1	109.5507	0.104	6	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5960	0.000	1	109.5960	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9270	0.000	1	108.9270	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2952	0.143	5	109.2952	0.021	5	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5790	0.000	1	109.5790	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[6a]C[5]O[5])	110.2660	0.000	1	110.2660	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7180	0.000	1	109.7180	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	90.6059	0.478	2	90.6059	0.229	2	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8270	0.000	1	108.8270	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	110.5830	0.000	1	110.5830	0.000	1	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7365	0.661	2	109.6333	2.631	3	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	111.4270	0.000	1	109.6333	2.631	3	108.4105	23.387	31	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]S[5])	108.5615	0.248	2	108.5615	0.062	2	108.5652	0.377	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[6a]C[5]S[5])	109.3000	0.000	1	109.3000	0.000	1	108.5652	0.377	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	107.8380	0.000	1	107.8380	0.000	1	108.5652	0.377	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]O[5])	108.4015	0.299	2	108.4015	0.089	2	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.8105	1.357	2	109.8105	1.841	2	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.5530	0.000	1	109.6202	0.032	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]O[5])	109.6880	0.279	2	109.6202	0.032	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.5520	0.000	1	109.6202	0.032	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]O[5])	109.7190	0.330	2	109.5263	0.094	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>}	H(C[5]C[6a]N[5]O[5])	109.2230	0.000	1	109.5263	0.094	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.4440	0.000	1	109.5263	0.094	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.7240	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.8300	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	108.1990	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.0570	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.5610	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.7870	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]O[5])	109.9826	0.413	5	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.7620	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.9910	0.000	1	109.6788	0.323	13	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.5910	0.000	1	109.5910	0.000	1	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.2560	0.000	1	109.5577	0.316	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	108.9470	0.000	1	109.5577	0.316	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	110.0140	0.259	2	109.5577	0.316	4	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.2105	0.064	2	110.2105	0.004	2	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.7500	0.000	1	110.7097	0.001	3	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	110.6895	0.023	2	110.7097	0.001	3	109.6916	0.422	35	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.8170	0.000	1	108.8170	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	111.4740	0.000	1	111.4740	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.9440	0.000	1	109.9440	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.4990	0.000	1	108.4990	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.4870	0.000	1	109.1590	0.215	2	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.8310	0.000	1	109.1590	0.215	2	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.0010	0.000	1	108.5625	0.221	4	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.4163	0.450	3	108.5625	0.221	4	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.5883	0.264	4	108.5554	0.420	9	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[6a]N[5]S[5])	107.1300	0.000	1	108.5554	0.420	9	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[6a]N[5]S[5])	108.3380	0.000	1	108.5554	0.420	9	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.0593	0.388	3	108.5554	0.420	9	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]S[5])	106.5840	0.000	1	106.5840	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]S[5])	108.0130	0.000	1	108.0130	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.3340	0.000	1	109.3340	0.000	1	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.2650	0.202	2	109.1947	0.035	3	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.0540	0.000	1	109.1947	0.035	3	108.7926	0.840	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[6a]N[5])	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]O[5])	108.3960	0.000	1	108.3960	0.000	1	108.1420	5.671	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]O[5])	110.6210	0.000	1	110.6210	0.000	1	108.1420	5.671	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]O[5])	109.3000	0.000	1	107.7516	6.349	7	108.1420	5.671	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]O[5])	107.0402	2.699	5	107.7516	6.349	7	108.1420	5.671	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]O[5])	109.7600	0.000	1	107.7516	6.349	7	108.1420	5.671	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]S[5])	108.1860	0.000	1	108.1860	0.000	1	108.4760	0.128	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]S[5])	108.4313	0.233	6	108.4061	0.050	7	108.4760	0.128	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]S[5])	108.2550	0.000	1	108.4061	0.050	7	108.4760	0.128	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]N[5,5]C[6a]S[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]S[5])	109.2550	0.000	1	109.2550	0.000	1	108.4760	0.128	9	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	109.2570	0.000	1	109.2570	0.000	1	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.6970	0.000	1	108.6970	0.000	1	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.9250	0.274	2	108.9250	0.075	2	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.6725	0.194	2	108.6725	0.038	2	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	109.5780	0.532	2	109.5780	0.283	2	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.6470	0.000	1	108.6470	0.000	1	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	110.8570	0.000	1	110.8570	0.000	1	109.1809	0.521	10	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6,6]C[6a]O[5])	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6,6]C[6a]O[5])	110.0152	1.391	4	110.0152	1.934	4	110.0152	1.934	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[6a]O[5])	109.9200	0.000	1	109.9200	0.000	1	110.1540	1.169	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]O[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[6a]O[5])	110.2320	1.310	3	110.2320	1.717	3	110.1540	1.169	4	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	110.4770	0.000	1	110.4770	0.000	1	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.6420	0.000	1	109.6420	0.000	1	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]O[5])	109.7190	0.000	1	109.7190	0.000	1	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.9710	0.000	1	109.6287	0.239	3	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]O[5])	109.8460	0.000	1	109.6287	0.239	3	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]O[5])	109.0690	0.000	1	109.6287	0.239	3	109.7873	0.211	6	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]N[5]S[5])	107.6910	0.564	2	107.6910	0.318	2	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	109.7980	0.000	1	109.7980	0.000	1	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.8750	0.000	1	108.8750	0.000	1	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.3320	0.017	2	109.3320	0.000	2	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	109.2560	0.136	6	109.4543	0.148	8	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	110.0490	0.017	2	109.4543	0.148	8	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	108.4310	0.066	2	108.1867	0.181	3	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	107.6980	0.000	1	108.1867	0.181	3	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	108.5500	0.000	1	108.5500	0.000	1	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	108.6616	1.272	7	108.6616	1.619	7	108.8838	0.835	25	108.9991	4.758	198	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H){1|N<2>,2|H<1>,8|C<3>}	H(C[5]C[5,6a]2C[6a])	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.7760	0.000	1	108.7760	0.000	1	108.5238	0.879	4	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.5580	0.000	1	107.5580	0.000	1	108.5238	0.879	4	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.8805	1.177	2	108.8805	1.386	2	108.5238	0.879	4	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.0140	0.000	1	109.0140	0.000	1	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6780	0.000	1	108.6780	0.000	1	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2460	0.000	1	109.2460	0.000	1	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[6a]C[5]2)	109.7960	0.000	1	109.7960	0.000	1	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.5040	0.000	1	108.5040	0.000	1	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	110.7790	0.109	2	110.7790	0.012	2	109.5423	0.888	7	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]2)	109.7750	0.000	1	109.7750	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Au<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.2970	0.000	1	109.2970	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.3498	0.430	4	109.3498	0.185	4	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.7265	0.049	2	108.7593	0.097	7	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]2)	108.7724	0.380	5	108.7593	0.097	7	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]N[5]2)	109.5980	0.000	1	109.5980	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]2)	110.5190	0.000	1	110.5190	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	110.4240	0.000	1	110.4240	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	106.1360	0.000	1	106.1360	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	105.1430	0.000	1	105.1430	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[6a]N[5]2)	110.3385	0.189	2	110.0299	0.285	8	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	109.8186	0.582	5	110.0299	0.285	8	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	110.4690	0.000	1	110.0299	0.285	8	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.9323	0.395	3	108.9323	0.156	3	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]N[5]2)	109.3510	0.000	1	109.3510	0.000	1	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[6a]N[5]2)	109.1817	0.146	4	109.1817	0.021	4	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.2530	0.548	4	110.3903	6.627	15	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.4030	0.797	5	110.3903	6.627	15	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.8263	0.479	4	110.3903	6.627	15	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	118.3100	0.000	1	110.3903	6.627	15	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Pt<6>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	114.2130	0.000	1	110.3903	6.627	15	109.5628	3.081	49	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.4560	0.112	4	109.4560	0.012	4	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.3060	0.000	1	109.3060	0.000	1	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]2)	110.0730	0.000	1	110.0730	0.000	1	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	108.5620	0.000	1	108.5620	0.000	1	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	109.9650	0.000	1	109.2203	0.416	3	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.8480	0.000	2	109.2203	0.416	3	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]2)	108.5740	0.000	1	109.4890	0.485	4	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	110.0305	0.043	2	109.4890	0.485	4	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]2)	109.3210	0.000	1	109.4890	0.485	4	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.3320	0.000	1	109.3320	0.000	1	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.3442	0.408	6	109.3442	0.167	6	109.3704	0.223	21	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	103.2290	0.000	1	103.2290	0.000	1	107.7990	15.691	3	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]N[5]2)	110.2490	0.000	1	110.2490	0.000	1	107.7990	15.691	3	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]2)	109.9190	0.000	1	109.9190	0.000	1	107.7990	15.691	3	109.3513	2.483	87	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	109.5340	0.000	1	109.5340	0.000	1	109.4295	0.956	4	109.4295	0.956	4	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.7070	0.126	2	108.7070	0.016	2	109.4295	0.956	4	109.4295	0.956	4	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	H(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]N[5]2)	110.7700	0.000	1	110.7700	0.000	1	109.4295	0.956	4	109.4295	0.956	4	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[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)(C[5]N[5]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|N<3>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.9338	0.958	4	107.9338	0.918	4	107.9338	0.918	4	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.8835	0.013	2	109.8835	0.000	2	109.8835	0.000	2	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,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,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6460	0.000	1	108.6460	0.000	1	110.1847	1.925	3	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	111.3400	0.000	1	111.3400	0.000	1	110.1847	1.925	3	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5680	0.000	1	110.5680	0.000	1	110.1847	1.925	3	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:N[3,5]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H)	H(C[5]N[3,5]C[6a]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]N[3,5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]N[3,5]C[6a]N[5])	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	109.0508	1.556	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:2:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[6a]N[5])	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	108.2925	4.901	2	108.2925	24.019	2	107.6049	3.897	8	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	107.2332	0.590	5	107.2332	0.348	5	107.6049	3.897	8	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]B[5]C[5])	108.0880	0.000	1	108.0880	0.000	1	107.6049	3.897	8	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	109.1040	0.000	1	108.8640	0.054	3	108.8657	0.036	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.7440	0.148	2	108.8640	0.054	3	108.8657	0.036	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.8710	0.000	1	108.8710	0.000	1	108.8657	0.036	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	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[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.5130	0.000	1	109.5130	0.000	1	109.2650	0.503	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	108.4650	0.000	1	108.4650	0.000	1	109.2650	0.503	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.8170	0.000	1	109.8170	0.000	1	109.2650	0.503	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.7470	0.000	1	108.7470	0.000	1	109.0390	0.171	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,6]C[6a])	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.3310	0.000	1	109.3310	0.000	1	109.0390	0.171	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]C[5,5]C[6a])	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	106.6175	0.600	2	106.6175	0.360	2	107.5660	1.285	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.9145	0.073	2	108.9145	0.005	2	107.5660	1.285	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]C[5,5]C[6a])	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[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.1660	0.549	2	107.1660	0.301	2	107.5660	1.285	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.6300	0.000	1	108.6300	0.000	1	108.7040	0.309	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,6]C[6a])	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.8285	0.927	2	108.7287	0.460	3	108.7040	0.309	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,6]C[6a])	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[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.5290	0.000	1	108.7287	0.460	3	108.7040	0.309	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	106.4630	0.000	1	106.4630	0.000	1	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2C[6a])	107.8680	0.000	1	107.8680	0.000	1	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.0132	0.374	4	109.0132	0.140	4	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	106.7575	1.008	2	106.7575	1.015	2	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.7550	0.000	1	109.7550	0.000	1	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.8700	0.000	1	108.8700	0.000	1	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.9530	0.000	1	107.9748	5.836	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	105.3905	4.546	2	107.9748	5.836	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.0140	0.000	1	107.9748	5.836	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	107.8940	0.000	1	107.9748	5.836	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.7187	0.290	3	107.9748	5.836	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	106.3850	0.000	1	106.3850	0.000	1	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.8580	0.000	1	109.0510	0.344	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.9960	0.000	1	109.0510	0.344	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.9257	0.577	6	109.0510	0.344	8	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.7500	0.397	2	109.7500	0.158	2	108.4350	2.513	29	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	101.4040	0.000	1	101.4040	0.000	1	104.9245	24.788	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4450	0.000	1	108.4450	0.000	1	104.9245	24.788	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.0143	0.452	3	109.8497	1.705	15	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.2422	0.549	10	109.8497	1.705	15	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	105.4770	0.000	1	109.8497	1.705	15	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.8040	0.000	1	109.8497	1.705	15	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.3490	0.000	1	109.3490	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.5900	0.000	1	109.1239	0.418	12	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3740	0.000	1	109.1239	0.418	12	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2700	0.000	1	109.1239	0.418	12	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.4057	0.215	6	109.1239	0.418	12	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6063	1.069	3	109.1239	0.418	12	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.0770	0.000	1	109.0770	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9780	0.000	1	108.8140	0.054	2	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6500	0.000	1	108.8140	0.054	2	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6670	0.000	1	108.6670	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4220	0.000	1	108.4220	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9440	1.788	2	108.9440	3.195	2	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.1770	0.000	1	109.1770	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7630	0.765	5	108.7630	0.585	5	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.9260	0.000	1	109.9260	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.3890	0.000	1	109.3890	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2500	0.000	1	109.2500	0.000	1	109.3141	0.994	44	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.7625	0.320	2	108.7625	0.103	2	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.0900	0.000	1	108.0900	0.000	1	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]N[5])	108.8390	0.000	1	108.8390	0.000	1	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.4610	0.000	1	110.4610	0.000	1	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.5610	0.000	1	110.5610	0.000	1	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.6900	0.000	1	109.4800	0.248	9	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.4512	0.428	6	109.4800	0.248	9	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.4615	1.009	2	109.4800	0.248	9	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.8640	0.000	1	110.8640	0.000	1	109.4788	0.634	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	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[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]N[5,5a]C[6a])	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[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6a])	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.4893	0.326	3	108.4893	0.106	3	109.0527	0.637	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.9100	0.000	1	109.9100	0.000	1	109.0527	0.637	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.2880	0.000	1	108.2880	0.000	1	109.0527	0.637	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.0290	0.000	1	110.0290	0.000	1	109.0527	0.637	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.6740	0.000	1	109.6740	0.000	1	109.0527	0.637	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:B[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]B[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H){2|H<1>,7|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]B[5]C[5])	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.6060	0.000	1	107.6060	0.000	1	109.1068	1.234	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9320	0.000	1	108.9320	0.000	1	109.1068	1.234	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8590	0.000	1	109.8590	0.000	1	109.1068	1.234	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0300	0.000	1	110.0300	0.000	1	109.1068	1.234	4	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3790	0.000	1	109.3790	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1510	0.000	1	110.1510	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2560	0.000	1	110.2560	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	104.5700	0.000	1	104.5700	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3497	0.726	6	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1610	0.000	1	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8290	0.000	1	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9085	0.204	2	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8970	0.000	1	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9550	0.000	1	109.2298	0.797	12	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2507	0.194	3	109.2507	0.038	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	111.1410	0.096	2	110.8213	0.311	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.1820	0.000	1	110.8213	0.311	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6500	0.529	2	109.8187	0.158	4	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9875	0.285	2	109.8187	0.158	4	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4960	0.000	1	109.4960	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1810	0.000	1	109.2317	0.025	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1050	0.000	1	109.2317	0.025	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4090	0.000	1	109.2317	0.025	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4455	0.319	2	109.3065	0.108	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1790	0.000	1	109.3065	0.108	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3860	0.020	2	109.3065	0.108	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2033	0.527	3	109.3065	0.108	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H){1|Br<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2050	0.000	1	109.2050	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1070	0.494	2	109.1070	0.244	2	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8825	1.872	2	108.8825	3.503	2	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4570	0.000	1	108.4570	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4150	0.702	3	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.2100	0.000	1	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3970	0.000	1	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9640	0.000	1	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	111.6590	0.000	1	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5130	0.000	1	109.7485	0.854	8	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7100	0.000	1	109.7100	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5723	0.354	3	109.5723	0.125	3	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7540	0.000	1	109.7540	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6920	0.000	1	108.6920	0.000	1	109.3922	0.984	58	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5900	0.573	3	109.5900	0.328	3	109.5900	0.328	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:S[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]S[5])	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[3,5]C[6a]C[5])	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]N[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[3,5]C[6a]C[5])	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[3,5]C[6a]N[5])	108.5250	0.000	1	108.5250	0.000	1	107.9830	0.588	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[3,5]C[6a]N[5])	107.4410	0.000	1	107.4410	0.000	1	107.9830	0.588	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[3,5]C[6a]N[5])	108.7180	0.000	1	108.7180	0.000	1	108.4757	0.049	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|C<3>,6|H<1>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[3,5]C[6a]N[5])	108.2850	0.000	1	108.3545	0.010	2	108.4757	0.049	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[3,5]C[6a]N[5])	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[5]N[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[3,5]C[6a]N[5])	108.4240	0.000	1	108.3545	0.010	2	108.4757	0.049	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1465	0.211	2	109.1465	0.045	2	109.1465	0.045	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.7237	0.232	4	107.7237	0.054	4	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.7020	0.000	1	109.8917	0.090	6	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.0615	0.169	2	109.8917	0.090	6	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.4810	0.000	1	109.8917	0.090	6	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	110.2700	0.000	1	109.8917	0.090	6	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[6a]C[5])	109.7740	0.000	1	109.8917	0.090	6	109.0245	1.321	10	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]N[5])	109.9320	0.581	5	109.9320	0.337	5	110.0374	0.498	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[6a]N[5])	111.1500	0.000	1	111.1500	0.000	1	110.0374	0.498	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[6a]N[5])	109.4520	0.000	1	109.4520	0.000	1	110.0374	0.498	7	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.4374	0.283	5	109.4374	0.080	5	109.4374	0.080	5	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.6900	0.000	1	109.3360	0.835	2	109.3360	0.835	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.9820	0.000	1	109.3360	0.835	2	109.3360	0.835	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>,4|C<4>}	H(C[5]N[5,6]C[6a]N[5])	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	109.4180	0.000	1	109.4180	0.000	1	110.0222	0.135	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	109.7660	0.000	1	110.1430	0.059	5	110.0222	0.135	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	110.2500	0.000	1	110.1430	0.059	5	110.0222	0.135	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	110.2330	0.171	3	110.1430	0.059	5	110.0222	0.135	6	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[6a]C[5])	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5,6a]C[6a]C[5])	109.8595	0.156	2	109.7913	0.026	3	109.7913	0.026	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[6a]C[5])	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	H(C[5]N[5,6a]C[6a]C[5])	109.6550	0.000	1	109.7913	0.026	3	109.7913	0.026	3	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.9370	0.427	2	108.9370	0.182	2	108.9370	0.182	2	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9280	0.000	1	109.9280	0.000	1	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.3230	0.000	1	110.3230	0.000	1	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8100	0.722	3	108.8100	0.521	3	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2490	0.354	2	108.9327	0.970	7	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8570	1.337	4	108.9327	0.970	7	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6030	0.000	1	108.9327	0.970	7	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.1810	0.000	1	106.1810	0.000	1	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9330	0.042	2	109.9330	0.002	2	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8860	0.000	1	109.8860	0.000	1	109.0714	1.334	16	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]S[5])	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	109.0770	1.538	261	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.8510	1.276	2	109.8510	1.627	2	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.4290	0.518	5	109.4290	0.268	5	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9250	0.000	1	107.9250	0.000	1	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.5520	0.000	1	108.5520	0.000	1	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.4540	0.000	1	109.4540	0.000	1	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5210	0.000	1	108.5210	0.000	1	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.2340	0.000	1	107.2340	0.000	1	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.6780	0.000	1	108.2133	0.524	3	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.9810	0.851	2	108.2133	0.524	3	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.8695	0.036	2	109.8695	0.001	2	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.8130	1.566	2	108.8130	2.451	2	108.9757	0.939	19	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H){1|N<2>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	109.0049	0.989	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5]C[5,6a]C[6a]C[5])	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,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,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.0075	0.148	2	108.0075	0.022	2	108.4170	0.514	3	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,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,6a]C[6a])(C[5]O[5]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2360	0.000	1	109.2360	0.000	1	108.4170	0.514	3	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3057	0.279	10	109.3057	0.078	10	109.3057	0.078	10	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	109.5229	1.259	17	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:2:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.9790	0.646	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	H(C[5]N[5,6]C[6a]C[5])	110.8800	0.000	1	110.1075	1.194	2	110.1075	1.194	2	109.9790	0.646	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3350	0.000	1	110.1075	1.194	2	110.1075	1.194	2	109.9790	0.646	3	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	B[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|B<3>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|H<1>,2|C<3>,2|F<1>,3|C<4>}	H(C[5]C[6a]B[5]C[5])	107.1450	0.000	1	107.1450	0.000	1	107.1450	0.000	1	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	106.4320	0.000	1	106.4320	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.3570	0.000	1	109.3570	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5a]C[6a]C[5])	109.2150	0.000	1	109.2150	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.5600	0.000	1	109.5600	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.7390	0.000	1	108.7390	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.5380	0.000	1	108.5380	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.6340	0.000	1	109.6340	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.8010	0.000	1	108.8010	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.4860	0.000	1	108.4860	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.5310	0.000	1	108.6694	0.070	8	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.5960	0.000	1	108.6694	0.070	8	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.8138	0.158	5	108.6694	0.070	8	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.1590	0.000	1	108.6694	0.070	8	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.0720	0.000	1	109.0720	0.000	1	108.7327	0.480	18	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.6650	0.042	2	108.6650	0.002	2	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.6533	0.943	3	106.6533	0.889	3	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1815	0.052	2	109.1815	0.003	2	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.3510	0.000	1	108.3510	0.000	1	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.3313	0.128	3	108.3313	0.016	3	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.7570	0.000	1	108.7570	0.000	1	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.5850	0.488	3	109.5850	0.238	3	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	110.7310	0.000	1	110.7310	0.000	1	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.6950	0.000	1	109.9300	0.233	3	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	110.0475	0.619	2	109.9300	0.233	3	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.9010	0.000	1	108.9010	0.000	1	108.7966	1.431	20	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	105.8800	0.049	2	105.8800	0.002	2	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.8920	0.800	2	108.9292	0.227	4	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9665	0.183	2	108.9292	0.227	4	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.0700	0.000	1	106.0700	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2540	0.000	1	106.2540	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.5860	0.000	1	108.5612	0.361	6	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2630	0.000	1	108.5612	0.361	6	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8105	0.456	2	108.5612	0.361	6	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.2850	0.000	1	108.5612	0.361	6	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.6120	0.000	1	108.5612	0.361	6	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|Cl<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3130	0.000	1	108.3130	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.8850	0.379	2	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.2820	0.000	1	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1016	0.426	18	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.4185	0.716	2	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.4950	0.000	1	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.8395	0.824	2	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.8750	0.000	1	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.0028	0.381	5	108.1494	0.213	32	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.8580	0.000	1	108.8580	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.2450	0.000	1	109.2450	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7795	0.070	2	108.7795	0.005	2	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.3500	0.000	1	109.3500	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.8040	0.000	1	109.7435	0.007	2	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6830	0.000	1	109.7435	0.007	2	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7260	0.000	1	109.7260	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.0870	0.000	1	110.0870	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.5350	0.000	1	109.2206	0.267	7	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.4797	0.325	4	109.2206	0.267	7	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4960	0.000	1	109.2206	0.267	7	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.5940	0.000	1	109.2206	0.267	7	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	111.0450	0.000	1	111.0450	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.7020	0.000	1	108.7020	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.2830	0.000	1	109.2830	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.7430	0.000	1	108.7430	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.6750	0.000	1	108.6750	0.000	1	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,3|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7580	0.798	2	108.7580	0.636	2	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	110.1247	0.482	3	110.1247	0.233	3	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.5071	0.586	9	109.5071	0.344	9	108.6466	0.974	82	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]S[5])	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6335	0.049	2	108.6335	0.002	2	108.5013	0.953	12	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8130	0.000	1	109.8130	0.000	1	108.5013	0.953	12	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.5015	0.893	4	107.6470	0.703	5	108.5013	0.953	12	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2290	0.000	1	107.6470	0.703	5	108.5013	0.953	12	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1753	0.383	4	109.1753	0.147	4	108.5013	0.953	12	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5,6]C[6a]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5,6]C[6a]C[5])	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.2285	0.756	2	109.2285	0.571	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	H(C[5]N[5,5]C[6a]C[5])	108.0480	0.000	1	108.0900	0.004	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[6a]C[5])	108.1320	0.000	1	108.0900	0.004	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	103.7330	0.000	1	103.7330	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.0650	0.000	1	108.0650	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.8670	0.000	1	109.2174	0.206	5	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.5400	0.286	2	109.2174	0.206	5	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.0700	0.607	2	109.2174	0.206	5	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.3525	0.138	2	109.3525	0.019	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.8610	0.000	1	108.6912	0.217	9	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.8390	0.000	1	108.6912	0.217	9	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4390	0.000	1	108.6912	0.217	9	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.0600	0.000	1	108.6912	0.217	9	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.6044	0.248	5	108.6912	0.217	9	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.4920	0.000	1	108.4920	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]N[5,5]C[6a]C[5])	108.2140	0.000	1	108.2140	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.9695	0.683	4	108.9695	0.466	4	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4915	0.057	2	109.6621	0.280	7	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.3450	0.013	2	109.6621	0.280	7	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.9873	0.741	3	109.6621	0.280	7	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]N[5,5]C[6a]C[5])	109.3270	0.000	1	109.3270	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.2502	0.506	4	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.6675	1.030	2	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.6530	0.000	1	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.9260	0.669	2	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.6380	0.000	1	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.2500	0.000	1	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.2380	0.000	1	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1310	0.000	1	109.5460	0.411	13	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.6820	0.000	1	109.5385	0.041	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.3950	0.000	1	109.5385	0.041	2	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.4400	0.000	1	109.4400	0.000	1	109.0694	1.007	52	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.0020	0.000	1	109.0937	0.052	3	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	108.9260	0.000	1	109.0937	0.052	3	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.3530	0.000	1	109.0937	0.052	3	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.0600	0.000	1	109.1088	0.011	4	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.1250	0.124	3	109.1088	0.011	4	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.8920	0.000	1	109.8920	0.000	1	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.1820	0.000	1	109.1820	0.000	1	109.1989	0.085	9	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.7430	0.088	3	108.7430	0.008	3	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	107.7470	0.000	1	107.6000	0.043	2	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	107.4530	0.000	1	107.6000	0.043	2	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.7840	0.000	1	108.7840	0.000	1	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3170	0.000	1	109.3170	0.000	1	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.7062	0.557	9	109.3675	0.528	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.5010	0.000	1	109.3675	0.528	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.3580	0.025	2	109.3675	0.528	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.2040	0.000	1	109.3675	0.528	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.6235	0.132	2	109.4613	0.227	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.7830	0.045	2	109.4613	0.227	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.3538	0.542	9	109.4613	0.227	13	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	H(C[5]N[5,6]C[6a]C[5])	108.9540	0.000	1	108.9540	0.000	1	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.5780	0.000	1	109.5753	0.000	3	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.5740	0.004	2	109.5753	0.000	3	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.5690	0.000	1	109.2502	0.127	5	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.1705	0.356	4	109.2502	0.127	5	109.2437	0.420	42	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4857	0.046	3	109.4857	0.002	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5360	0.000	2	109.5360	0.000	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7392	0.206	5	109.7760	0.042	6	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9600	0.000	1	109.7760	0.042	6	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0300	0.000	1	110.0300	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1090	0.000	1	110.1090	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4186	0.567	5	109.4186	0.321	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2425	0.438	2	109.2425	0.192	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7240	0.000	1	109.1710	0.229	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3945	0.398	2	109.1710	0.229	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0900	0.000	1	110.0994	1.124	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5150	0.000	1	110.0994	1.124	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3058	1.435	4	110.0994	1.124	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8680	0.000	1	110.0994	1.124	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.7140	0.000	1	109.5484	0.893	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2570	0.790	4	109.5484	0.893	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|P<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4880	0.000	1	110.4880	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6830	0.000	1	109.6830	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3820	0.000	1	110.3820	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8009	0.430	17	109.8009	0.185	17	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6450	0.000	1	108.6450	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3185	1.252	2	109.3185	1.568	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.7530	0.000	1	108.0460	0.172	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3390	0.000	1	108.0460	0.172	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0070	0.000	1	108.5726	0.961	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.4740	0.000	1	108.5726	0.961	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1273	1.060	3	108.5726	0.961	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6870	0.000	2	108.6870	0.000	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5640	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0290	0.675	2	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1330	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0210	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5860	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9480	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3420	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1140	0.000	1	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	109.4437	0.653	4	109.4262	0.258	13	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	105.7110	0.000	1	105.7110	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9860	0.000	1	109.0890	0.493	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8115	0.005	2	109.0890	0.493	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4180	0.129	2	109.0890	0.493	5	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5930	0.000	1	108.4273	0.302	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8100	0.000	1	108.4273	0.302	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3176	0.628	5	108.4273	0.302	7	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9080	0.000	1	109.9080	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9690	0.000	1	109.9690	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8110	0.000	1	108.8110	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7820	0.000	1	109.7820	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3450	0.000	1	110.3450	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0667	0.294	3	110.0667	0.086	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9490	0.253	2	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|F<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2140	0.000	1	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5215	0.965	2	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8445	0.453	4	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0883	1.773	3	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9150	0.972	4	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6374	0.336	29	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8780	0.000	1	109.3874	0.595	46	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5260	0.395	2	109.5260	0.156	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9390	0.000	1	109.2540	0.113	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6090	0.000	1	109.2540	0.113	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2140	0.000	1	109.2540	0.113	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7400	0.000	1	109.1185	0.773	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4970	0.000	1	109.1185	0.773	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9980	0.197	2	109.9480	0.027	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8480	0.000	1	109.9480	0.027	3	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8100	0.288	2	108.8100	0.083	2	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7150	0.000	1	109.7150	0.000	1	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9895	0.841	6	108.9895	0.708	6	109.3875	0.641	166	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]N[5]S[5])	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[6a]N[5]S[5])	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.0777	0.872	406	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:2:	4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	H(C[5]C[5,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.8080	0.612	2	108.8080	0.375	2	108.8080	0.375	2	108.9528	0.776	5	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	H(C[5]C[6a]C[5]O[5])	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	108.9528	0.776	5	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3975	0.332	2	108.3975	0.110	2	108.3975	0.110	2	108.9528	0.776	5	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]O[5])	107.7385	0.039	2	107.7385	0.002	2	107.7385	0.002	2	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]O[5])	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.3960	0.000	1	108.3960	0.000	1	109.0867	0.359	3	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]O[5])	109.3930	0.000	1	109.4320	0.003	2	109.0867	0.359	3	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]O[5])	109.4710	0.000	1	109.4320	0.003	2	109.0867	0.359	3	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H){1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3710	0.000	1	108.3710	0.000	1	108.6568	0.518	5	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8190	0.000	1	107.8190	0.000	1	108.6568	0.518	5	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]O[5])	109.6050	0.000	1	109.6050	0.000	1	108.6568	0.518	5	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1770	0.000	1	109.1770	0.000	1	108.6568	0.518	5	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3120	0.000	1	108.3120	0.000	1	108.6568	0.518	5	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]S[5])	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.6770	0.471	13	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:2:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[6a]-2:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3580	0.000	1	109.2468	1.151	4	108.8703	1.163	6	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2097	1.311	3	109.2468	1.151	4	108.8703	1.163	6	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6940	0.000	1	108.6940	0.000	1	108.8703	1.163	6	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.5410	0.000	1	107.5410	0.000	1	108.8703	1.163	6	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:2:	4:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]O[5]P[5])	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]P[5])	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	108.7781	0.962	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.3550	0.000	1	107.5907	0.127	3	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0000	0.000	1	107.5907	0.127	3	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[6a]C[5]N[5])	107.4170	0.000	1	107.5907	0.127	3	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3110	0.000	1	108.3110	0.000	1	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0340	0.000	1	108.0340	0.000	1	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4240	0.000	1	109.3425	0.013	2	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2610	0.000	1	109.3425	0.013	2	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6490	0.304	2	109.6490	0.092	2	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	101.3884	11.958	2	107.9982	14.503	19	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7759	1.129	17	107.9982	14.503	19	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4870	0.000	1	108.4870	0.000	1	108.1915	9.651	29	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2270	0.000	1	109.2270	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9210	0.000	1	108.9210	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	106.8110	0.000	1	107.2365	0.362	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.6620	0.000	1	107.2365	0.362	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3445	0.985	2	108.3445	0.970	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4360	0.000	1	108.1668	0.055	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0770	0.184	3	108.1668	0.055	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.1700	0.000	1	108.1700	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.5960	0.000	1	108.5960	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.4745	0.439	4	108.4745	0.193	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.1315	0.230	2	109.0215	0.078	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.9115	0.364	2	109.0215	0.078	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[6a]C[5]O[5])	109.2733	0.373	3	109.2733	0.139	3	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1830	0.000	1	108.1830	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9020	0.653	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4100	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	113.0900	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7670	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.7070	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.4600	0.492	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5130	0.095	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5560	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8000	0.566	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0860	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.6080	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	112.0450	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.4270	0.000	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.5620	0.000	1	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[6a]C[5]O[5])	108.1545	0.006	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0515	0.711	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3787	0.772	6	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1060	0.430	2	108.9333	1.337	31	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[6a]C[5]O[5])	108.5472	0.428	4	109.0830	0.462	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5895	0.059	2	109.0830	0.462	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.6480	0.617	2	109.0830	0.462	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.8380	0.000	1	107.8380	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.4592	0.173	4	108.3561	0.102	22	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3052	0.346	16	108.3561	0.102	22	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.3370	0.000	1	108.3561	0.102	22	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[6a]C[5]O[5])	108.7770	0.000	1	108.3561	0.102	22	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0040	0.000	1	110.0040	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7060	0.000	1	109.7060	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5730	0.000	1	109.4005	0.060	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2280	0.000	1	109.4005	0.060	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2240	0.000	2	109.2240	0.000	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2680	0.538	4	109.2680	0.289	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8640	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0485	0.142	2	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7612	0.233	4	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1370	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.4970	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9350	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7820	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8020	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8760	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1190	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9820	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8570	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7480	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8570	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5640	0.000	1	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8705	0.556	2	108.9478	0.105	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.9057	0.875	3	109.9057	0.766	3	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	110.6780	0.000	1	109.6740	2.016	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6700	0.000	1	109.6740	2.016	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7710	0.462	2	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7130	0.000	1	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	110.5140	0.000	1	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.9215	0.180	2	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3550	0.000	1	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.4915	0.459	4	109.3575	0.632	11	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7750	0.000	1	109.7750	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9740	0.000	1	108.9740	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0020	0.000	1	109.6695	0.221	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3370	0.000	1	109.6695	0.221	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0150	0.000	1	109.4247	1.979	3	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1295	1.853	2	109.4247	1.979	3	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2560	0.000	1	108.2560	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[6a]C[5]O[5])	108.8060	0.000	1	108.8060	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2500	0.000	1	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1184	0.595	7	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2830	0.000	1	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5100	0.000	1	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0915	0.101	2	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6355	0.488	4	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3700	0.243	2	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2253	0.236	3	109.0482	0.221	21	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2260	0.000	1	109.2260	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	107.4540	0.000	1	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3290	0.583	2	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.1000	0.173	2	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0590	0.000	1	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5330	0.000	1	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7990	0.000	1	109.0879	0.799	8	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8400	0.000	1	108.2630	0.896	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8760	1.420	2	108.2630	0.896	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4600	0.000	1	108.2630	0.896	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4730	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6569	0.371	16	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8395	0.286	2	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5975	0.303	13	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2940	0.812	2	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3050	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0820	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.6805	3.406	2	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.9200	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1320	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2750	0.000	1	108.8559	0.777	41	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3180	0.000	1	108.2542	0.089	12	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2485	0.312	11	108.2542	0.089	12	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6830	0.000	1	108.7090	0.001	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7350	0.000	1	108.7090	0.001	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.9420	0.000	1	109.9420	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.8190	0.000	1	108.8805	0.349	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5185	0.022	2	108.8805	0.349	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6190	0.000	1	108.8805	0.349	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4200	0.000	1	108.8805	0.349	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3880	0.000	1	108.8805	0.349	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0310	0.000	1	110.0310	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|C<2>,2|O<2>}	H(C[5]C[6a]C[5]O[5])	109.4048	0.564	4	109.4048	0.318	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0110	0.000	1	109.0110	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|C<2>,3|O<2>}	H(C[5]C[6a]C[5]O[5])	108.7450	0.000	1	108.6830	0.075	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.6490	0.371	3	108.6830	0.075	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7030	0.300	2	108.6830	0.075	6	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0090	0.000	1	109.0090	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3070	0.000	1	109.8000	0.486	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.2930	0.000	1	109.8000	0.486	2	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	106.8750	0.000	1	106.8750	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1995	0.217	4	109.1995	0.047	4	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.6410	0.000	1	109.6410	0.000	1	108.8873	0.632	259	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	107.5160	0.000	1	107.5160	0.000	1	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]S[5])	108.7490	0.000	1	108.8420	0.110	3	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	108.5660	0.000	1	108.8420	0.110	3	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]S[5])	109.2110	0.000	1	108.8420	0.110	3	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	106.6290	0.000	1	106.6290	0.000	1	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.4450	0.000	1	108.6062	0.272	6	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]S[5])	109.5810	0.000	1	108.6062	0.272	6	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.2975	0.411	2	108.6062	0.272	6	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.5080	0.061	2	108.6062	0.272	6	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]S[5])	107.7360	0.000	1	107.7360	0.000	1	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	109.8790	0.808	4	109.0400	0.954	10	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.7413	0.157	3	109.0400	0.954	10	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.2410	0.000	1	109.0400	0.954	10	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	107.3500	0.000	1	109.0400	0.954	10	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	109.0690	0.000	1	109.0400	0.954	10	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.1835	0.470	2	108.1835	0.221	2	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.7270	0.000	1	108.7270	0.000	1	108.6215	0.777	25	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]Se[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]Se[5]C[5])	107.8990	0.000	1	107.8990	0.000	1	108.2900	0.306	2	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]Se[5]C[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]Se[5]C[5])	108.6810	0.000	1	108.6810	0.000	1	108.2900	0.306	2	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	110.3060	0.000	1	109.7790	0.555	2	109.7790	0.555	2	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	109.2520	0.000	1	109.7790	0.555	2	109.7790	0.555	2	108.8046	1.484	317	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.5730	0.000	1	108.5995	0.001	2	108.3123	1.514	6	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6260	0.000	1	108.5995	0.001	2	108.3123	1.514	6	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.5420	0.000	1	107.5420	0.000	1	108.3123	1.514	6	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.9295	2.365	2	107.9295	5.595	2	108.3123	1.514	6	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.2740	0.000	1	109.2740	0.000	1	108.3123	1.514	6	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.8105	0.317	2	108.8105	0.101	2	108.1900	1.506	4	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3700	0.000	1	106.3700	0.000	1	108.1900	1.506	4	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.7690	0.000	1	108.7690	0.000	1	108.1900	1.506	4	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.9410	0.000	1	108.9410	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.3070	0.000	1	108.3070	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1890	0.000	1	109.1890	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9060	0.000	1	109.0435	0.636	4	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.2480	0.000	2	109.0435	0.636	4	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.7720	0.000	1	109.0435	0.636	4	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.5390	0.000	1	109.5390	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.3590	0.000	1	109.7140	0.252	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.0690	0.000	1	109.7140	0.252	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.7920	0.000	1	108.7920	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1470	0.000	1	109.0755	0.111	6	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.9210	0.276	3	109.0755	0.111	6	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.9180	0.000	1	109.0755	0.111	6	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.6250	0.000	1	109.0755	0.111	6	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5995	0.459	2	108.6167	0.106	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.6510	0.000	1	108.6167	0.106	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	110.1160	0.000	1	110.1160	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	111.2540	0.000	1	111.2540	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.1450	0.000	1	109.1450	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.4260	0.072	2	108.3013	0.049	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.0520	0.000	1	108.3013	0.049	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	107.2720	0.000	1	107.2720	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.1760	0.000	1	109.1760	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.8080	0.000	1	108.8080	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.9530	0.000	1	108.9530	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7140	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.0500	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.1670	0.008	2	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.1585	0.282	2	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.3070	0.219	2	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.8690	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.2170	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.7220	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7830	0.000	1	108.8850	0.242	12	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.2200	0.000	1	109.2200	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.3130	0.000	1	109.3130	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.0940	0.000	1	106.0940	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5980	0.000	1	107.5980	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.6120	0.000	2	109.6120	0.000	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.7530	0.000	1	107.7530	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.3215	0.555	2	108.3215	0.308	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.6600	0.000	1	106.6600	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.0960	0.915	5	109.0914	0.587	7	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.3700	0.000	1	109.0914	0.587	7	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	108.7900	0.000	1	109.0914	0.587	7	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.9780	0.000	1	106.9780	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.7000	0.000	1	109.7000	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.7680	0.000	1	108.8978	1.783	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4605	0.028	2	108.8978	1.783	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5840	0.000	1	108.8978	1.783	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[6a]C[5]2)	111.2160	0.000	1	108.8978	1.783	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2120	0.496	2	109.0572	0.255	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.6190	0.139	2	109.0572	0.255	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.6240	0.000	1	109.0572	0.255	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5910	0.000	1	108.5910	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.8970	0.000	1	108.8970	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.7930	0.000	1	107.7930	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.9310	0.000	1	109.9310	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.2090	0.000	1	107.7872	1.538	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	108.6440	0.000	1	107.7872	1.538	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6890	0.000	1	107.7872	1.538	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.9870	0.000	1	107.7872	1.538	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4070	0.000	1	107.7872	1.538	5	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.8055	0.012	2	109.8055	0.000	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.6740	0.000	1	108.6740	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	110.1070	0.000	1	110.1070	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4205	0.271	2	108.4205	0.073	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	110.1550	0.047	2	109.1290	3.159	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.0770	0.000	1	109.1290	3.159	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.2540	0.000	1	109.2540	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	116.1160	0.000	1	111.1120	18.793	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7220	0.000	1	111.1120	18.793	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4980	0.000	1	111.1120	18.793	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.5720	0.000	1	109.5720	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4100	0.399	2	107.4100	0.159	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.3080	0.000	1	109.3080	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0160	0.000	1	108.0160	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.4915	0.350	2	109.8231	0.188	9	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.2770	0.000	1	109.8231	0.188	9	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	109.1270	0.000	1	109.8231	0.188	9	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.8820	0.060	4	109.8231	0.188	9	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Cl<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	110.4930	0.000	1	109.8231	0.188	9	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.3700	0.000	1	109.2083	0.284	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.1275	0.728	2	109.2083	0.284	3	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	109.2890	0.000	1	109.2890	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.4610	0.000	1	109.1000	0.817	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[6a]C[5]2)	109.7390	0.000	1	109.1000	0.817	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.8370	0.000	1	109.9265	0.016	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	110.0160	0.000	1	109.9265	0.016	2	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.4890	0.000	1	109.4890	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.6350	0.000	1	109.6350	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9610	0.000	1	107.9610	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.3655	0.248	2	108.6128	0.182	8	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.6952	0.458	6	108.6128	0.182	8	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.2600	0.000	1	108.2600	0.000	1	108.9623	1.222	127	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5186	5.414	7	110.5186	29.314	7	110.5186	29.314	7	108.9626	2.629	145	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[6a]C[5]2)	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	109.3165	0.413	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.3165	0.413	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6243	0.130	3	108.6243	0.017	3	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.1170	0.000	1	108.1170	0.000	1	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3490	0.000	1	110.3490	0.000	1	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7757	0.297	6	109.7757	0.088	6	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5000	0.000	1	110.5000	0.000	1	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7670	0.297	2	109.7670	0.088	2	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5930	0.000	1	110.5930	0.000	1	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Cu<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7732	3.446	4	109.7732	11.877	4	109.6165	2.442	19	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1920	0.314	2	109.1920	0.099	2	109.1920	0.099	2	109.5760	2.219	21	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[6a]-2:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0280	0.000	1	108.7355	1.001	2	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4430	0.000	1	108.7355	1.001	2	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3650	0.000	1	110.3650	0.000	1	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0190	0.000	1	110.0190	0.000	1	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4340	0.000	1	108.4340	0.000	1	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6460	0.000	1	109.6460	0.000	1	109.3225	0.831	6	109.3225	0.831	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5a]C[5,5]C[6a])	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.4550	0.000	1	108.4550	0.000	1	108.8940	0.368	3	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.5860	0.000	1	109.5860	0.000	1	108.8940	0.368	3	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.6410	0.000	1	108.6410	0.000	1	108.8940	0.368	3	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(C[5]C[5,6]2C[6a])	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2970	0.000	1	108.2970	0.000	1	109.2337	0.658	3	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.7020	0.000	2	109.7020	0.000	2	109.2337	0.658	3	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3,5]C[6a])	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.1680	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.5870	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.1080	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3220	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3810	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.3890	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.7460	0.000	1	108.6716	0.477	7	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.0690	0.000	1	109.0690	0.000	1	108.7212	0.428	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	107.2780	0.000	1	107.2780	0.000	1	108.6095	3.546	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.9410	0.000	1	109.9410	0.000	1	108.6095	3.546	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.9400	0.000	1	107.9400	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7700	0.000	1	108.7700	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1430	0.000	1	108.1430	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7895	0.920	2	109.7895	0.846	2	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3080	1.150	3	108.3080	1.322	3	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1920	0.000	1	108.1920	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.7500	0.000	1	108.7500	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2750	0.000	1	106.2750	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.9740	0.000	1	109.9740	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4820	0.000	1	108.4820	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.3500	0.000	1	107.3500	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.5830	0.000	1	107.5830	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.6547	0.749	3	108.1470	0.492	7	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3475	0.125	2	108.1470	0.492	7	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2220	0.000	1	108.1470	0.492	7	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.1480	0.000	1	108.1470	0.492	7	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.9972	0.187	4	106.9972	0.035	4	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2020	0.000	1	109.2020	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7240	0.000	1	109.7240	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6350	0.000	1	108.6350	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9620	0.000	1	108.9620	0.000	1	108.2501	1.041	30	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[6a]Si[5])	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]Si[5])	106.1730	0.361	2	106.1730	0.130	2	106.1730	0.130	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8910	0.000	1	108.8910	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	106.9060	0.000	1	106.9060	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.1610	0.000	1	109.1610	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	107.0695	2.193	2	108.2196	1.551	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5395	1.538	2	108.2196	1.551	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[6a]C[5]N[5])	108.3500	0.000	1	108.2196	1.551	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	108.8400	0.000	1	108.2196	1.551	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	108.6745	0.124	2	108.2196	1.551	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0705	0.076	2	108.0705	0.006	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	107.9010	0.225	2	107.2113	0.651	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.5090	0.000	1	107.2113	0.651	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.5340	0.000	1	107.2113	0.651	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6317	0.124	3	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.7240	0.000	1	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.7440	0.000	1	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1985	0.694	2	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6860	0.000	1	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5620	0.000	1	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2040	0.000	1	109.0212	0.338	10	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6450	0.000	1	109.6450	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7224	0.908	5	108.7122	0.389	21	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1093	0.828	3	108.7122	0.389	21	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4877	0.143	3	108.7122	0.389	21	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9554	0.373	10	108.7122	0.389	21	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	106.9840	0.000	1	106.9840	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6080	0.000	1	109.6080	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1580	0.000	2	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1600	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2260	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4320	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1340	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8220	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9320	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.5585	0.623	2	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0440	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.5900	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0940	0.313	2	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1985	1.507	4	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0610	0.000	1	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4439	0.875	9	108.2433	0.759	28	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0295	0.370	4	109.0295	0.137	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8035	0.095	2	108.8035	0.009	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1440	0.000	1	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5560	0.000	1	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4430	0.109	2	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3455	0.226	2	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3950	0.713	5	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7100	0.000	1	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2615	0.255	2	109.4632	0.437	14	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2350	0.000	1	109.1117	0.085	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0500	0.385	2	109.1117	0.085	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6710	0.000	1	107.2153	4.109	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.4875	2.245	2	107.2153	4.109	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9900	0.000	1	108.9900	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7658	0.316	6	108.7658	0.100	6	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	107.5860	0.000	1	107.0335	0.611	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	106.4810	0.000	1	107.0335	0.611	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.8970	0.000	1	108.8970	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2000	0.000	1	108.2000	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8380	0.324	2	109.8380	0.105	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.7780	0.000	1	106.7780	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4700	0.085	2	109.4700	0.007	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5800	0.000	1	109.5800	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.9600	0.000	1	108.4667	0.324	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.3570	0.000	1	108.4667	0.324	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0830	0.000	1	108.4667	0.324	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9010	0.000	1	107.9010	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2880	1.497	3	108.2880	2.242	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.4090	0.000	1	107.4090	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1430	0.000	1	107.1430	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2242	0.268	4	109.2242	0.072	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4745	0.005	2	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1965	0.289	4	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5150	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4250	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7942	0.386	6	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7030	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6010	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0570	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[6a]C[5]N[5])	109.5810	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3430	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0640	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1090	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6367	0.679	3	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7650	0.000	2	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8775	2.309	2	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.6290	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9650	1.216	7	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4550	0.000	1	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2510	0.273	3	109.3921	0.629	40	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4910	0.000	1	109.4910	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8187	1.761	3	108.3216	2.064	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0760	0.396	2	108.3216	2.064	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5830	0.000	1	109.5830	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7431	0.486	8	109.7431	0.236	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0290	0.000	1	109.6555	0.210	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4410	0.000	1	109.6555	0.210	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5760	0.656	2	109.6555	0.210	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7310	0.000	1	109.7310	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9260	0.000	1	109.9260	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5520	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9280	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2880	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0515	0.278	2	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0180	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6400	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6857	0.209	3	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0330	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7390	0.000	1	109.4465	0.214	12	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8780	0.000	1	109.8780	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7977	1.411	3	109.7977	1.992	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6210	0.000	1	108.6210	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8690	0.000	1	109.9397	0.061	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7360	0.000	1	109.9397	0.061	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2140	0.000	1	109.9397	0.061	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0850	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3385	0.002	2	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9340	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5750	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7660	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7400	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0080	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1360	0.000	1	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5205	0.319	2	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7785	1.039	2	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9949	0.580	55	109.9299	0.352	68	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1950	0.000	1	109.1688	0.144	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4270	0.044	2	109.1688	0.144	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6260	0.000	1	109.1688	0.144	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.1860	0.000	1	109.6670	0.539	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1480	0.000	1	109.6670	0.539	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2650	0.000	1	108.2650	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3430	0.000	1	109.3430	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0670	0.000	1	109.3307	0.665	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9625	0.719	2	109.3307	0.665	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1280	0.000	1	108.1280	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9180	0.000	1	107.9180	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1780	0.000	1	108.1360	0.047	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1150	0.303	2	108.1360	0.047	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2650	0.000	1	109.6845	0.674	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1040	0.000	1	109.6845	0.674	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3600	0.000	1	109.3600	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8790	0.000	1	107.8790	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.3290	0.000	1	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2870	0.000	1	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1620	0.096	2	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4580	0.000	1	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9730	0.256	2	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2950	0.000	1	108.8299	0.497	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8220	0.425	5	108.8220	0.181	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.3405	5.032	2	106.3405	25.326	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7610	0.000	1	109.7610	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.5650	0.000	1	107.5650	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4670	0.000	1	109.4670	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6460	0.728	4	108.6460	0.529	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3160	0.000	1	109.3160	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9000	0.000	1	108.9000	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2015	0.213	2	110.2015	0.045	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8096	0.647	5	108.9233	0.352	7	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8820	0.000	1	108.9233	0.352	7	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5330	0.000	1	108.9233	0.352	7	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7200	0.000	1	109.7200	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9570	0.151	2	108.0697	0.050	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2950	0.000	1	108.0697	0.050	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4440	0.925	2	109.3524	1.087	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3060	0.116	2	109.3524	1.087	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2620	0.000	1	109.3524	1.087	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5890	0.030	2	109.5890	0.001	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4420	0.000	1	110.4420	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5418	0.290	4	109.6312	0.103	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9890	0.000	1	109.6312	0.103	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5360	0.000	1	109.5360	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5310	0.000	1	109.5310	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<2>,2|C<4>,2|O<2>}	H(C[5]C[6a]C[5]N[5])	109.2690	0.352	4	109.2690	0.124	4	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9387	0.467	3	108.9906	0.242	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5630	0.000	1	108.9906	0.242	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<2>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5740	0.000	1	108.9906	0.242	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0370	0.000	1	110.0370	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5343	0.034	3	109.4726	0.177	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4356	0.552	5	109.4726	0.177	8	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9560	0.000	1	108.9560	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6300	0.000	1	109.6300	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2730	0.000	1	109.5873	0.113	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7445	0.278	2	109.5873	0.113	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7140	0.000	1	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2045	0.358	4	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6940	0.000	1	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.5555	1.227	2	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7787	0.758	27	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6920	0.000	1	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3880	0.000	1	109.7417	0.541	37	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Co<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3345	0.268	2	108.3345	0.072	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2635	0.424	2	108.7990	1.278	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4893	1.451	3	108.7990	1.278	5	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3680	0.478	2	108.9100	0.458	50	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<5>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2528	0.478	6	108.9100	0.458	50	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8392	0.694	42	108.9100	0.458	50	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8410	0.000	1	108.8410	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.6080	0.000	1	110.0147	0.433	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7180	0.581	2	110.0147	0.433	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0155	0.173	2	109.8361	0.285	16	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6546	0.548	8	109.8361	0.285	16	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0183	0.567	6	109.8361	0.285	16	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2545	0.516	13	109.8621	0.429	25	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3745	0.491	11	109.8621	0.429	25	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[5]C[6a]C[5]N[5])	110.1250	0.000	1	109.8621	0.429	25	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.7290	0.000	1	110.7290	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.2147	0.573	3	110.2147	0.328	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0990	0.754	3	109.9383	0.260	9	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<6>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8580	0.406	6	109.9383	0.260	9	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.9040	0.000	1	105.3490	41.496	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	100.7940	0.000	1	105.3490	41.496	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Sn<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2040	0.293	2	109.2040	0.086	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0770	0.000	1	109.2928	0.300	36	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0015	0.521	4	109.2928	0.300	36	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3051	0.539	31	109.2928	0.300	36	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9570	0.103	3	108.9570	0.011	3	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.7655	2.085	2	107.7655	4.348	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4860	0.000	1	109.4860	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0520	0.000	1	109.0520	0.000	1	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6420	0.040	2	108.6420	0.002	2	109.2082	1.011	580	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.2630	0.966	4	107.2630	0.933	4	107.3547	1.125	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.4465	1.292	4	107.4465	1.669	4	107.3547	1.125	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:P[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]N[5]P[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)2{1|N<2>,1|W<6>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]N[5]P[5])	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[6a]C[5]S[5])	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	108.8080	0.000	1	108.2495	0.624	2	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6910	0.000	1	108.2495	0.624	2	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2540	0.000	1	108.2540	0.000	1	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2490	0.390	4	107.9712	0.256	9	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6090	0.000	1	107.9712	0.256	9	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.2120	0.000	1	107.9712	0.256	9	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	107.9747	0.535	3	107.9712	0.256	9	108.0412	0.259	12	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]C[5])	108.3460	0.000	1	108.3460	0.000	1	108.4822	0.480	5	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.5685	0.993	2	108.3103	0.693	3	108.4822	0.480	5	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	107.7940	0.000	1	108.3103	0.693	3	108.4822	0.480	5	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	109.1340	0.000	1	109.1340	0.000	1	108.4822	0.480	5	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cu<5>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[6a]N[5])	108.2395	0.387	2	108.2395	0.150	2	108.2395	0.150	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.0330	0.000	1	109.0330	0.000	1	109.1238	0.144	18	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	108.5645	0.023	2	108.5645	0.001	2	109.1238	0.144	18	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.4985	0.111	2	109.4985	0.012	2	109.1238	0.144	18	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.1614	0.383	11	109.1592	0.125	13	109.1238	0.144	18	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[6a]C[5])	109.1475	0.187	2	109.1592	0.125	13	109.1238	0.144	18	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Br<1>,1|C<3>,4|C<4>}	H(C[5]N[5,6]C[6a]N[5])	108.7900	0.000	1	108.5700	0.097	2	108.5700	0.097	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]N[5,6]C[6a]N[5])	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|Cl<1>,1|C<3>,4|C<4>}	H(C[5]N[5,6]C[6a]N[5])	108.3500	0.000	1	108.5700	0.097	2	108.5700	0.097	2	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:P[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]P[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6]C[6a]P[5])	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]N[5,6]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[6a]P[5])	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.4190	0.783	2	108.4190	0.614	2	108.1911	2.210	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.1152	1.716	6	108.1152	2.943	6	108.1911	2.210	8	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8900	0.000	1	109.6235	0.142	2	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3570	0.000	1	109.6235	0.142	2	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0950	0.000	1	109.0950	0.000	1	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9760	0.000	1	108.9760	0.000	1	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.1480	0.000	1	109.1480	0.000	1	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3080	0.000	1	110.0910	0.094	2	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8740	0.000	1	110.0910	0.094	2	109.5211	0.254	7	109.0911	1.110	696	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-2:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[6a]C[5]2)	108.6930	0.000	1	108.6930	0.000	1	108.7193	0.029	3	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	H(C[5]C[6a]C[5]2)	108.9010	0.000	1	108.7325	0.057	2	108.7193	0.029	3	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	H(C[5]C[6a]C[5]2)	108.5640	0.000	1	108.7325	0.057	2	108.7193	0.029	3	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){5|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.2510	0.000	1	107.0540	0.597	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.9050	1.730	2	107.0540	0.597	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.8715	0.131	2	107.0540	0.597	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.9563	0.275	3	107.0540	0.597	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.9335	0.004	2	107.0540	0.597	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|S<4>,2|C<4>,2|H<1>,3|C<2>}	H(C[5]C[6a]C[5]2)	104.9110	0.000	1	104.9110	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[6a]C[5]2)	106.6490	0.000	1	106.6490	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.1530	1.334	4	107.1530	1.778	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.3350	0.000	1	107.3375	0.000	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.3400	0.000	1	107.3375	0.000	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.8240	0.000	1	108.8240	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.3360	0.062	2	107.2292	0.501	9	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.4320	0.000	1	107.2292	0.501	9	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	106.6020	0.000	1	107.2292	0.501	9	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.1313	0.462	3	107.2292	0.501	9	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.4815	1.722	2	107.2292	0.501	9	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.5870	0.000	1	107.1697	0.384	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4610	0.508	2	107.1697	0.384	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,3|C<3>,4|C<2>}	H(C[5]C[6a]C[5]2)	105.0545	0.148	2	105.5058	0.284	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|H<1>,3|C<2>}	H(C[5]C[6a]C[5]2)	105.9570	0.127	2	105.5058	0.284	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1695	0.151	2	108.1695	0.023	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	96.7664	0.000	1	96.7664	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.5645	0.805	2	109.5645	0.649	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	101.0653	2.192	2	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.6330	0.000	1	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.1010	0.000	1	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.7725	0.312	2	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.5070	0.000	1	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.4230	0.000	1	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.5262	0.886	5	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3290	0.000	1	107.0214	7.628	14	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.2140	2.686	2	108.2140	7.212	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8140	0.000	1	107.8140	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.0600	0.000	1	107.0600	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5450	0.000	1	108.5450	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.6170	0.000	1	106.6170	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1520	0.000	1	107.6977	0.581	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.2850	0.000	1	107.6977	0.581	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4023	0.710	7	107.6977	0.581	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4700	0.000	1	107.6977	0.581	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.9520	0.000	1	107.6977	0.581	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.8340	0.000	1	109.8340	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.6570	0.690	2	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.9320	0.000	1	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	101.9490	0.000	1	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3570	0.000	1	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.1230	0.000	1	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.3460	0.000	1	107.4316	6.378	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.4430	0.000	1	108.4430	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4620	0.000	2	108.4620	0.000	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.5700	0.000	1	107.5700	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.0650	0.000	1	106.5480	0.750	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.2895	1.049	2	106.5480	0.750	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.0745	0.708	2	109.0745	0.501	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7490	0.000	1	106.7490	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.3180	0.000	1	108.3180	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	105.7400	0.000	1	105.7400	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8510	0.000	1	107.8510	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.6130	0.000	1	106.6130	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.2545	0.059	2	107.2545	0.003	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.0420	0.000	1	109.0420	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0773	0.512	3	107.7488	0.334	5	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.2560	0.033	2	107.7488	0.334	5	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.2290	0.232	3	108.2290	0.054	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7700	0.000	1	107.9660	2.484	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.8010	0.000	1	107.9660	2.484	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	110.1150	0.000	1	107.9660	2.484	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1780	0.000	1	107.9660	2.484	4	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8330	0.000	1	107.8330	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.4955	0.493	2	108.4955	0.243	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.1360	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.5600	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.6840	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.2217	2.347	3	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0390	1.476	2	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.6800	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0510	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0600	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.1730	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.5110	1.274	2	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.4177	0.339	8	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.6430	0.000	1	107.9606	1.188	23	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.3970	0.000	1	108.2457	0.024	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.2550	0.000	1	108.2457	0.024	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.0850	0.000	1	108.2457	0.024	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.4010	0.000	1	108.4765	1.709	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5520	0.000	1	108.4765	1.709	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.9100	0.000	1	106.2860	0.779	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.6620	0.000	1	106.2860	0.779	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.2940	0.000	1	107.2940	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.8100	0.000	1	109.8100	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3760	0.422	4	108.2062	0.819	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[6a]C[5]2)	107.5898	0.821	5	108.2062	0.819	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.2380	0.000	1	108.2062	0.819	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.5770	0.000	1	108.2062	0.819	11	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.2147	0.462	3	108.2147	0.213	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[6a]C[5]2)	105.5850	0.000	1	105.5850	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0740	0.000	1	108.0740	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.3550	0.000	1	106.3550	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|Cl<1>,1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]2)	105.9580	0.000	1	105.9580	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.6395	0.374	2	107.6395	0.140	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.6845	0.672	2	108.6845	0.452	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.5138	0.105	5	107.5138	0.011	5	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0141	0.459	7	107.9986	0.182	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8900	0.000	1	107.9986	0.182	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.0830	0.176	3	106.9192	0.484	6	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.3760	1.155	2	106.9192	0.484	6	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5140	0.000	1	106.9192	0.484	6	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.6090	0.000	1	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	106.9085	0.141	2	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.0405	0.330	2	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.9660	0.000	1	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.0810	0.000	1	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.3800	0.000	1	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.5865	0.945	2	107.9107	0.531	10	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1660	0.037	2	108.1660	0.001	2	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.0410	0.000	1	107.0410	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.8380	0.000	1	107.8380	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.2523	0.594	3	107.2523	0.353	3	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	111.3040	0.000	1	111.3040	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.3610	0.000	1	108.0591	0.360	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.2250	0.000	1	108.0591	0.360	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1550	0.273	2	108.0591	0.360	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.6442	0.311	4	108.0591	0.360	8	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|N<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.1150	0.000	1	109.1150	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.3370	0.000	1	107.3370	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.1504	1.645	7	107.1504	2.706	7	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[5]C[6a]C[5]2)	106.5370	0.000	1	106.5370	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.6770	0.000	1	108.6770	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.9190	0.000	1	108.9190	0.000	1	107.5926	2.250	222	107.6124	2.221	227	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	H(C[5]C[6a]C[5]2)	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:4:3:	4:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	106.8395	0.268	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:4:3:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.6400	0.000	1	107.6400	0.000	1	107.5935	0.004	2	106.8395	0.268	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:4:3:	4:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5470	0.000	1	107.5470	0.000	1	107.5935	0.004	2	106.8395	0.268	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.4806	0.046	5	106.4806	0.002	5	106.4806	0.002	5	106.8395	0.268	8	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1100	0.000	1	109.1100	0.000	1	109.1990	0.016	2	109.1990	0.016	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:2:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2880	0.000	1	109.2880	0.000	1	109.1990	0.016	2	109.1990	0.016	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1130	0.000	1	108.3500	0.112	2	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5870	0.000	1	108.3500	0.112	2	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9155	0.214	2	107.9155	0.046	2	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0020	0.000	1	108.0020	0.000	1	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1210	0.000	1	109.1210	0.000	1	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	106.8060	0.000	1	106.8060	0.000	1	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5240	0.000	1	109.5240	0.000	1	108.2480	0.704	8	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	104.9710	0.000	1	104.9710	0.000	1	106.7147	0.968	7	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.0168	0.815	4	107.0168	0.664	4	106.7147	0.968	7	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	106.9825	0.520	2	106.9825	0.270	2	106.7147	0.968	7	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.5205	1.303	16	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7285	0.250	2	109.7285	0.062	2	109.7285	0.062	2	109.7285	0.062	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	108.8950	1.671	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.8950	1.671	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]B[5]O[5])	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2{1|B<3>,1|O<2>,2|F<1>,3|C<3>}	H(C[5]C[6a]B[5]O[5])	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]N[5])	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[6a]O[5])	109.0120	0.000	1	109.0120	0.000	1	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]O[5])	109.4820	0.000	1	110.5457	1.207	4	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[6a]O[5])	109.7200	0.000	1	110.5457	1.207	4	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]O[5])	111.4905	0.152	2	110.5457	1.207	4	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]O[5])	108.7765	0.302	2	108.7765	0.091	2	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[6a]O[5])	109.4020	0.000	1	109.4020	0.000	1	109.7687	1.258	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[6a]O[5])	107.0700	0.000	1	107.0700	0.000	1	108.2207	0.994	3	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[4,5]C[6a]O[5])	108.8210	0.000	1	108.7960	0.001	2	108.2207	0.994	3	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[4,5]C[6a]O[5])	108.7710	0.000	1	108.7960	0.001	2	108.2207	0.994	3	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[6a]O[5])	108.4820	0.000	1	108.4820	0.000	1	108.4774	0.194	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[6a]O[5])	108.9155	0.056	2	108.9155	0.003	2	108.4774	0.194	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[6a]O[5])	108.0180	0.000	1	108.0370	0.001	2	108.4774	0.194	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,6|C<4>}	H(C[5]C[5,5,6]C[6a]O[5])	108.0560	0.000	1	108.0370	0.001	2	108.4774	0.194	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.4420	0.000	1	107.4420	0.000	1	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.4600	0.000	2	107.4600	0.000	2	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9250	0.000	1	107.9250	0.000	1	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.1560	0.000	1	107.1560	0.000	1	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0680	0.000	1	108.0680	0.000	1	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.0575	0.032	2	108.0575	0.001	2	107.7032	0.131	8	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	109.2920	0.000	1	109.2920	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.1240	0.000	1	108.1240	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.3395	0.091	2	108.3395	0.008	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.4000	0.095	2	108.4000	0.009	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]O[5])	110.9530	0.000	1	110.9530	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.0447	0.174	4	108.2683	0.155	10	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.7570	0.000	1	108.2683	0.155	10	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.1790	0.289	4	108.2683	0.155	10	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	109.0310	0.000	1	108.2683	0.155	10	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.7915	0.129	2	108.7915	0.017	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.6820	0.000	1	108.6820	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	107.4620	0.000	2	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	107.9760	0.539	2	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.4930	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.4645	0.159	2	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.2420	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.6127	0.434	18	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.2480	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.2230	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.7270	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	111.5360	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.4670	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.6240	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.3010	0.000	1	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.2550	0.513	2	108.6344	0.561	35	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.5760	0.000	1	109.5760	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	109.0135	0.039	2	109.0135	0.002	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]O[5])	108.7420	0.000	1	108.7420	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]O[5])	108.3590	0.000	1	108.3590	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.5210	0.000	1	108.4220	0.020	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.3230	0.000	1	108.4220	0.020	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[6a]O[5])	108.7720	0.000	1	108.5050	0.143	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[6a]O[5])	108.2380	0.000	1	108.5050	0.143	2	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]O[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]O[5])	108.1620	0.000	1	108.1620	0.000	1	108.6111	0.468	65	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.6450	0.000	1	108.6450	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.0570	0.105	2	108.0570	0.011	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.2560	0.000	1	108.2560	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.4590	0.000	1	108.8423	0.149	3	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.2300	0.000	1	108.8423	0.149	3	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.8380	0.000	1	108.8423	0.149	3	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.9380	0.000	1	108.9380	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.4860	0.000	1	109.4880	0.000	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.4900	0.000	1	109.4880	0.000	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.6170	0.000	1	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[6a]O[5])	108.9670	0.000	1	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[6a]O[5])	110.7140	0.000	1	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.1620	0.000	1	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.4805	0.315	2	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.2160	0.000	1	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.9020	0.037	2	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.9130	0.276	2	108.9334	0.443	11	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	109.4460	0.000	1	109.4460	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.7830	0.000	1	108.9710	0.447	4	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.9610	0.000	1	108.9710	0.447	4	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.5700	0.074	2	108.9710	0.447	4	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.6420	0.467	2	108.7287	0.131	3	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.9020	0.000	1	108.7287	0.131	3	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.9520	0.000	1	108.9520	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.7540	0.000	1	108.7540	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.3850	0.000	1	108.3850	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.0820	0.000	1	109.1210	0.003	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.1600	0.000	1	109.1210	0.003	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	108.0475	0.192	2	108.0475	0.037	2	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.2260	0.142	4	108.2260	0.020	4	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]O[5])	108.4060	0.000	1	108.4060	0.000	1	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]O[5])	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]O[5])	109.5898	0.246	10	109.5898	0.060	10	108.9191	0.373	51	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]S[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]S[5])	107.1448	0.119	4	107.1448	0.014	4	107.1448	0.014	4	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0840	0.000	1	108.0840	0.000	1	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	105.3260	0.000	1	105.3260	0.000	1	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9960	0.000	1	108.9960	0.000	1	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7860	0.000	1	108.3839	0.340	8	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9920	0.437	4	108.3839	0.340	8	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9470	0.000	1	108.3839	0.340	8	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1680	0.000	1	108.3839	0.340	8	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2020	0.000	1	108.3839	0.340	8	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9501	0.611	7	108.9501	0.374	7	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6460	0.000	1	108.6460	0.000	1	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4520	0.235	3	108.4520	0.055	3	108.4605	0.798	22	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	110.9990	0.000	1	110.9990	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3468	1.007	5	108.3468	1.015	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5700	0.000	1	109.5700	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.7792	0.325	9	109.7792	0.106	9	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5380	0.000	1	109.5380	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3330	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8910	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2860	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5420	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5620	0.108	3	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.1880	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.5406	0.193	8	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0030	0.000	1	109.4855	0.092	17	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6920	0.000	1	109.1515	0.422	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.6110	0.000	1	109.1515	0.422	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0160	0.000	1	110.0160	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9530	0.000	1	108.9530	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6790	0.000	1	108.1378	0.103	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1800	0.000	1	108.1378	0.103	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9200	0.000	1	108.1378	0.103	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9550	0.049	2	108.1378	0.103	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[6a]C[5]O[5])	108.6490	0.000	1	108.6490	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9550	0.000	1	107.9550	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	109.8560	0.000	2	109.8560	0.000	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1025	0.056	2	108.1583	0.011	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2700	0.000	1	108.1583	0.011	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7925	0.189	2	108.9210	0.050	4	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0495	0.223	2	108.9210	0.050	4	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.7890	0.000	1	110.7890	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4820	0.000	1	108.4820	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.4720	0.000	1	108.4720	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3460	0.233	4	108.3246	0.064	7	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.2960	0.329	3	108.3246	0.064	7	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.4775	0.157	4	108.4775	0.025	4	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.3450	0.458	5	108.3450	0.210	5	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0380	0.000	1	109.2205	0.067	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4030	0.000	1	109.2205	0.067	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.1440	0.000	1	107.1440	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.5755	0.301	2	108.7067	0.097	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9690	0.000	1	108.7067	0.097	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[5]C[6a]C[5]O[5])	108.7510	0.000	1	108.7510	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.7340	0.000	1	110.7340	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.1500	0.000	1	110.1500	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	113.3260	0.000	1	113.3260	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	107.8665	0.136	2	107.8665	0.019	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8210	0.000	1	108.8835	0.008	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]O[5])	108.9460	0.000	1	108.8835	0.008	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.9529	0.375	14	108.9529	0.141	14	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	112.3520	0.000	1	112.3520	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	109.0340	0.000	1	109.9225	1.579	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	110.8110	0.000	1	109.9225	1.579	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.0090	0.000	1	108.0090	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.6680	0.000	1	108.6680	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3713	0.236	10	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.3470	0.867	2	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0995	1.128	2	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3730	0.000	1	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.1050	0.000	1	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.2790	0.547	7	108.7407	0.413	23	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3290	0.478	3	109.3290	0.228	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8340	0.000	1	108.8340	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	106.7740	0.000	1	106.7740	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.1190	0.000	1	108.1190	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]O[5])	108.2380	0.000	1	108.6590	0.184	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]O[5])	108.8695	0.319	2	108.6590	0.184	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.8680	0.365	2	108.8680	0.133	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1112	0.158	4	109.2385	0.276	22	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.1743	0.520	16	109.2385	0.276	22	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.0060	0.598	2	109.2385	0.276	22	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4013	0.631	4	109.4013	0.399	4	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.6145	0.376	6	109.8506	0.491	8	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	110.5590	1.178	2	109.8506	0.491	8	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.4170	0.000	1	109.4170	0.000	1	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|F<1>}	H(C[5]C[6a]C[5]O[5])	108.8285	0.780	2	108.8285	0.608	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	107.9670	0.419	2	107.9670	0.175	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	111.0435	2.881	2	111.0435	8.303	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	108.7565	1.135	2	108.7565	1.288	2	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]O[5])	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]O[5])	109.0907	1.176	3	109.0907	1.384	3	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]O[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<4>,4|H<1>}	H(C[5]C[6a]C[5]O[5])	109.3995	1.169	8	109.3995	1.365	8	109.0761	0.839	194	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[6a]C[5]S[5])	107.5020	0.000	1	107.5020	0.000	1	107.9442	0.115	4	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]S[5])	108.1815	0.189	2	108.1815	0.036	2	107.9442	0.115	4	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]S[5])	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]S[5])	107.9120	0.000	1	107.9120	0.000	1	107.9442	0.115	4	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]N[5,5]C[6a]O[5])	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6a]O[5])	108.4830	0.397	2	108.4830	0.158	2	108.4830	0.158	2	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,2|C<3>,4|C<4>}	H(C[5]C[6a]N[5]O[5])	108.6725	0.094	2	108.6725	0.009	2	108.1864	0.258	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	H(C[5]C[6a]N[5]O[5])	108.1390	0.000	1	107.8623	0.117	3	108.1864	0.258	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]O[5])	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	H(C[5]C[6a]N[5]O[5])	107.7240	0.345	2	107.8623	0.117	3	108.1864	0.258	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	107.7430	0.000	1	107.7430	0.000	1	109.1456	1.712	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	107.7270	0.000	1	107.7270	0.000	1	109.1456	1.712	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	H(C[5]C[6a]O[5]P[5])	109.7070	0.000	1	109.7070	0.000	1	109.1456	1.712	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]O[5]P[5])	110.2990	0.000	1	110.2755	0.001	2	109.1456	1.712	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]O[5]P[5])	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,9|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]O[5]P[5])	110.2520	0.000	1	110.2755	0.001	2	109.1456	1.712	5	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:2:1:	4:3:3:	4:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]Si[5]S[5])	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]Si[5]S[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]Si[5]S[5])	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.8583	0.804	380	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.0500	0.000	1	108.0500	0.000	1	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.7710	0.000	1	108.4655	0.187	2	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.1600	0.000	1	108.4655	0.187	2	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	99.6841	10.688	2	99.6841	114.244	2	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.5320	0.000	1	109.5320	0.000	1	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.1550	0.000	1	108.1550	0.000	1	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.6780	0.000	1	108.6780	0.000	1	106.3393	33.420	8	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	110.0420	0.000	1	110.0420	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.5690	0.000	1	107.5690	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1520	0.000	1	109.1520	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7610	0.000	1	108.9965	0.111	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.2320	0.000	1	108.9965	0.111	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.4405	0.771	2	108.4405	0.595	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	108.0820	0.000	1	108.0820	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.4400	0.021	2	108.4400	0.000	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.8600	0.000	1	107.8600	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.9100	0.000	1	105.5975	0.195	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	105.2850	0.000	1	105.5975	0.195	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	108.1300	0.000	2	108.1300	0.000	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.2530	0.000	1	107.2530	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.6440	0.000	1	105.6440	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1560	2.082	2	108.1560	4.334	2	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2107	0.279	3	108.0950	0.105	4	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.7480	0.000	1	108.0950	0.105	4	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(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>}	H(C[5]C[6a]C[5]2)	107.6470	0.000	1	107.6470	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.8550	0.000	1	106.8550	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.7870	0.000	1	105.7870	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	109.1910	0.000	1	109.1910	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	110.4130	0.000	1	110.4130	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	113.6740	0.000	1	113.6740	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.5730	0.000	1	108.5730	0.000	1	108.1881	2.649	30	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2H){1|Cu<5>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6a]N[5]2)	108.4090	0.000	1	108.4090	0.000	1	108.2494	0.471	5	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	107.5270	0.000	1	107.5270	0.000	1	108.2494	0.471	5	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.7840	0.000	1	108.7840	0.000	1	108.2494	0.471	5	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<6>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	108.9880	0.000	1	108.9880	0.000	1	108.2494	0.471	5	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:3:4:	4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mo<6>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]N[5]2)	107.5390	0.000	1	107.5390	0.000	1	108.2494	0.471	5	107.8513	7.979	43	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:4:2:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2885	0.045	2	108.2885	0.002	2	108.2885	0.002	2	108.2885	0.002	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]B[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]B[5,5]C[6a]N[5])	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]B[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|O<2>}	H(C[5]B[5,5]C[6a]N[5])	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]B[5,6]C[6a]C[5])	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[5]B[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]B[5,6]C[6a]C[5])	106.0220	0.145	3	106.0220	0.021	3	106.0220	0.021	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|F<1>,9|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	H(C[5]C[6a]B[5]C[5])	107.2055	0.098	2	107.2055	0.010	2	102.9436	54.496	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	94.4198	0.000	1	94.4198	0.000	1	102.9436	54.496	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[6a]C[5])	107.5660	0.000	1	107.5660	0.000	1	106.6160	1.805	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[3,5]C[6a]C[5])	105.6660	0.000	1	105.6660	0.000	1	106.6160	1.805	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[6a]N[5])	108.7910	0.000	1	108.7910	0.000	1	109.4212	0.208	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]N[5])	109.8650	0.000	1	109.8650	0.000	1	109.4212	0.208	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[3,5]C[6a]N[5])	109.2760	0.158	2	109.2760	0.025	2	109.4212	0.208	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[6a]N[5])	109.2950	0.000	1	109.2950	0.000	1	109.4212	0.208	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]N[5])	110.0240	0.000	1	110.0240	0.000	1	109.4212	0.208	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.0220	0.000	1	109.0220	0.000	1	109.0035	0.001	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]N[5])	108.9850	0.000	1	108.9850	0.000	1	109.0035	0.001	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[3x5,6]C[6a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3x5,6]C[6a]N[5])	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[5]C[4,5]C[6a]N[5])	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[6a]N[5])	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.9940	0.000	1	107.7853	0.089	3	107.7853	0.089	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.4440	0.000	1	107.7853	0.089	3	107.7853	0.089	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[5]C[5,5,6,6]C[6a]N[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6,6]C[6a]N[5])	107.9180	0.000	1	107.7853	0.089	3	107.7853	0.089	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[6a]N[5])	107.9070	0.000	1	107.9070	0.000	1	108.3970	0.480	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	108.8870	0.000	1	108.8870	0.000	1	108.3970	0.480	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]N[5])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[6a]N[5])	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,5]C[6a])	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	108.9675	0.756	2	108.9675	0.571	2	108.9675	0.571	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.8428	0.843	5	108.7897	1.440	11	108.9365	1.568	12	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.9520	0.000	1	108.7897	1.440	11	108.9365	1.568	12	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.4380	0.000	1	108.7897	1.440	11	108.9365	1.568	12	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.7708	0.048	4	108.7897	1.440	11	108.9365	1.568	12	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	110.5510	0.000	1	110.5510	0.000	1	108.9365	1.568	12	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0290	0.000	1	107.0290	0.000	1	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.7370	0.564	2	108.7370	0.318	2	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.1360	0.000	1	108.7675	0.798	2	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.3990	0.000	1	108.7675	0.798	2	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.3350	0.259	3	110.3350	0.067	3	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.4650	0.000	1	110.4650	0.000	1	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9000	0.000	1	106.9000	0.000	1	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6500	0.000	1	109.1653	4.810	3	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.1690	0.000	1	109.1653	4.810	3	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.6770	0.000	1	109.1653	4.810	3	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.6890	0.000	1	109.0380	1.781	5	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4017	1.397	3	109.0380	1.781	5	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.2960	0.000	1	109.0380	1.781	5	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.0650	0.000	1	110.0650	0.000	1	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.0470	0.000	1	109.5517	1.288	4	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.0533	0.650	3	109.5517	1.288	4	109.1898	1.796	23	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	111.8790	0.000	1	111.8790	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.6800	0.000	1	109.3635	0.277	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.8310	0.000	1	109.3635	0.277	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.2240	0.000	1	109.3635	0.277	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.7190	0.000	1	109.3635	0.277	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4570	0.000	1	107.4570	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1690	0.000	1	107.1690	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8670	0.000	2	108.0157	2.174	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3130	0.000	1	108.0157	2.174	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8370	0.000	1	108.8370	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.0230	0.000	1	109.0230	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4100	0.000	1	107.4100	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	108.2735	0.155	2	108.2735	0.024	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3990	0.000	1	107.3990	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.8860	0.000	1	109.8860	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9700	0.000	1	106.9700	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7340	0.000	1	107.6785	1.784	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6230	0.000	1	107.6785	1.784	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4790	0.266	2	106.4790	0.071	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.2140	1.993	2	108.6717	2.614	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.5870	0.000	1	108.6717	2.614	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7070	0.000	1	108.2968	0.875	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.5860	0.000	1	108.2968	0.875	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5170	0.000	1	108.2968	0.875	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3770	0.000	1	108.2968	0.875	4	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.7525	0.496	2	107.7525	0.246	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2480	0.000	1	107.2480	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.4750	0.000	1	108.4750	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	110.8950	0.788	2	110.8950	0.620	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.6180	0.000	1	108.6180	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.9210	0.000	1	107.4230	0.496	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9250	0.000	1	107.4230	0.496	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3150	0.048	2	107.3150	0.002	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0480	0.000	2	108.0480	0.000	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.8940	0.000	1	108.1310	1.164	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3680	0.000	1	108.1310	1.164	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2080	0.000	1	107.2883	0.256	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3285	0.709	2	107.2883	0.256	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.9930	0.000	1	109.9930	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2180	0.014	2	107.2180	0.000	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.9450	0.000	1	107.9450	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.8957	0.572	3	105.8957	0.327	3	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|S<2>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.1780	0.000	1	109.1780	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3285	0.588	2	108.3285	0.345	2	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.1760	0.000	1	108.1760	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.8330	0.000	1	107.8330	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	110.3030	0.000	1	110.3030	0.000	1	108.1523	1.720	60	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	107.7330	0.000	1	108.1160	0.273	4	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.3480	0.000	1	108.1160	0.273	4	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1915	0.780	2	108.1160	0.273	4	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.9760	0.000	1	108.5270	0.083	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.5200	0.000	2	108.5270	0.083	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.4430	0.000	1	108.5270	0.083	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.1760	0.000	1	108.5270	0.083	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.2880	0.000	1	107.2880	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.9670	0.000	1	109.9670	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	105.0530	0.000	1	105.0530	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.0640	0.000	1	108.0222	1.733	8	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.0320	2.349	3	108.0222	1.733	8	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2880	0.066	2	108.0222	1.733	8	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.7210	0.877	2	108.0222	1.733	8	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.3800	0.000	1	108.3800	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.0270	0.000	1	109.0270	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.5350	0.000	1	107.5350	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.8000	0.000	1	109.8000	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.7840	0.000	1	108.7840	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.1950	0.000	1	108.3145	0.029	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.4340	0.000	1	108.3145	0.029	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	106.2280	0.000	1	107.2987	1.070	3	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.8340	0.649	2	107.2987	1.070	3	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.1330	0.000	1	108.1350	0.000	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.1370	0.000	1	108.1350	0.000	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.8960	0.000	1	107.8960	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	105.8810	0.000	1	107.3250	1.114	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.3230	0.367	3	107.3250	1.114	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|S<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.7750	0.000	1	107.3250	1.114	5	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.0480	0.916	2	109.0480	0.840	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	107.4895	0.258	2	107.4895	0.067	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.0000	0.000	1	108.0000	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.2420	0.000	1	108.2420	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	109.4660	0.000	1	108.7075	1.151	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9490	0.000	1	108.7075	1.151	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.5580	0.000	1	108.5580	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.9910	0.000	1	108.9910	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	106.5090	0.000	1	106.6545	0.042	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	106.8000	0.000	1	106.6545	0.042	2	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.4980	0.000	1	109.4980	0.000	1	108.0689	1.130	51	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.0100	0.000	1	109.0100	0.000	1	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	107.8240	0.000	1	108.6713	0.624	3	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	108.8020	0.000	1	108.6713	0.624	3	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.3880	0.000	1	108.6713	0.624	3	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	108.5490	0.000	1	108.8550	0.187	2	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.1610	0.000	1	108.8550	0.187	2	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]N[5,5]C[6a])	107.6970	0.000	1	107.6970	0.000	1	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	109.0800	0.000	1	108.6515	0.367	2	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2230	0.000	1	108.6515	0.367	2	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5,5]C[6a])	108.2020	0.000	1	108.2020	0.000	1	108.5936	0.344	10	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,6]C[6a])	108.5700	0.000	1	108.5700	0.000	1	109.0333	0.416	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5,6]C[6a])	108.7600	0.000	1	108.7600	0.000	1	109.0333	0.416	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5,6]C[6a])	109.7700	0.000	1	109.7700	0.000	1	109.0333	0.416	3	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[6a]N[5])	108.0380	0.000	1	108.0380	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.1490	0.000	1	109.1490	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.5450	0.000	1	108.5450	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	108.8830	0.164	2	108.8830	0.027	2	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]N[5])	107.9430	0.000	1	107.9430	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[6a]N[5])	108.2540	0.000	1	108.2540	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]N[5])	109.6640	0.000	1	109.6640	0.000	1	108.6699	0.350	8	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5]C[5,6]2C[6a])	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	106.5525	0.151	2	106.5525	0.023	2	106.5525	0.023	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5990	0.000	1	108.5990	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.8690	0.000	1	107.8690	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.0920	0.000	1	107.0920	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	105.9740	0.000	1	105.9740	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.0900	0.000	1	110.0900	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.1660	0.000	1	109.1660	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.3120	0.153	2	109.4165	0.055	4	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.7430	0.000	1	109.4165	0.055	4	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.2990	0.000	1	109.4165	0.055	4	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.9945	0.214	4	109.4660	0.632	17	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.6625	0.190	2	109.4660	0.632	17	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.3237	0.679	6	109.4660	0.632	17	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8363	0.266	3	109.4660	0.632	17	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.0840	1.707	2	109.4660	0.632	17	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.8440	0.000	1	109.8440	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.1860	0.000	1	106.1860	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.7990	0.000	1	109.7990	0.000	1	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	110.1965	0.074	2	110.1965	0.006	2	109.1750	1.331	32	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2090	2.811	2	108.2090	7.904	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.2710	0.000	1	107.2710	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6790	0.000	1	106.6790	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.4905	0.221	2	108.6920	0.722	5	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.5820	0.000	1	108.6920	0.722	5	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.4485	0.617	2	108.6920	0.722	5	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.1975	0.240	2	108.1975	0.057	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.8330	0.000	1	107.8330	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	109.2360	0.000	1	109.2360	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.0360	0.000	1	108.0360	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.5980	0.000	1	106.5980	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.7735	0.016	2	106.7735	0.000	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7165	0.032	2	106.7165	0.001	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.9735	0.543	4	107.9735	0.295	4	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	100.0720	0.000	1	100.0720	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.2895	0.220	2	108.2895	0.048	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.1370	0.880	2	108.1370	0.774	2	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.7860	0.000	1	109.7860	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.4350	0.000	1	109.4350	0.000	1	107.7649	3.237	30	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.9160	0.000	1	109.9160	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.4280	0.000	1	108.4280	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	107.1340	0.000	1	107.1340	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]N[5])	109.6290	0.000	1	108.9865	0.352	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[6a]N[5])	108.8515	0.685	2	108.9865	0.352	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.6140	0.000	1	108.9865	0.352	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.1840	0.000	1	109.1840	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]N[5])	106.3970	0.000	1	106.3970	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	110.2100	0.000	1	110.2100	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	111.0730	0.000	1	111.0730	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.4500	0.000	1	109.7665	0.073	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.8600	0.291	2	109.7665	0.073	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.8960	0.000	1	109.7665	0.073	4	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.0080	0.000	1	107.7177	1.494	6	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]N[5])	107.1602	0.891	4	107.7177	1.494	6	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.6570	0.000	1	107.7177	1.494	6	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.4280	0.000	1	108.4280	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	110.2850	0.000	1	110.2850	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.9153	0.183	3	109.3113	0.400	10	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.3110	0.124	2	109.3113	0.400	10	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.3490	0.324	5	109.3113	0.400	10	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.9910	0.000	1	109.9910	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	106.2390	0.000	1	106.2390	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	107.5080	0.000	1	107.5080	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	107.7660	0.000	1	108.0200	0.129	2	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.2740	0.000	1	108.0200	0.129	2	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[6a]N[5])	108.3670	0.000	1	108.3670	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	108.1493	0.610	3	108.1493	0.373	3	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.5650	0.000	1	108.5650	0.000	1	108.7592	1.396	43	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]N[5,5]C[6a])	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5,5]C[6a])	108.4365	0.405	2	108.4365	0.164	2	108.4365	0.164	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.2430	0.000	1	109.2430	0.000	1	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.0030	0.000	1	109.0030	0.000	1	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]N[5])	109.0440	0.000	1	109.0440	0.000	1	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.8140	0.000	1	108.8140	0.000	1	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	108.3960	0.000	1	108.7530	0.255	2	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[6a]N[5])	109.1100	0.000	1	108.7530	0.255	2	108.9350	0.089	6	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2755	1.585	2	108.2755	2.511	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4746	0.733	5	108.4746	0.537	5	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	H(C[5]C[6a]C[5]N[5])	109.0108	0.343	4	109.0108	0.118	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[6a]C[5]N[5])	106.3410	0.000	1	106.3410	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3170	0.000	1	108.3170	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.6440	0.000	1	110.6440	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1046	0.189	5	109.1046	0.036	5	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	107.1290	0.000	1	107.1290	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0300	0.000	1	108.7048	0.358	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6490	0.000	1	108.7048	0.358	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0700	0.590	2	108.7048	0.358	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9230	0.000	1	108.9230	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2260	0.000	1	108.2260	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[6a]C[5]N[5])	108.6935	0.405	2	108.6935	0.164	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.6753	0.565	3	107.6753	0.319	3	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8390	0.579	3	109.8390	0.335	3	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0610	0.000	1	109.0610	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0715	0.196	2	109.2138	0.046	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3560	0.132	2	109.2138	0.046	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8390	0.000	1	109.1935	0.833	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5480	0.000	1	109.1935	0.833	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.8720	0.000	1	107.8720	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.4450	0.000	1	110.4450	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.3740	0.000	1	110.3740	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6910	0.000	1	108.6910	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2710	0.000	1	109.2710	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	104.0540	0.000	1	104.0540	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3830	0.000	1	108.3830	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7910	0.000	2	108.7910	0.000	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0300	0.000	1	109.0300	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6860	0.000	1	109.6860	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.9350	0.233	2	109.9350	0.054	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3817	1.150	3	108.9935	1.484	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	107.8290	0.000	1	108.9935	1.484	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9360	0.000	1	108.7193	0.944	6	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3295	1.859	2	108.7193	0.944	6	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9070	0.636	3	108.7193	0.944	6	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3522	0.122	8	109.3522	0.015	8	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4510	0.460	2	109.4510	0.211	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	111.9920	0.000	1	111.9920	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2480	0.000	1	109.2480	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5840	0.000	1	108.5840	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.7585	1.648	2	107.7585	2.717	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6770	0.000	1	109.7780	0.020	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.8790	0.000	1	109.7780	0.020	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9155	0.581	2	108.9155	0.337	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0023	0.291	6	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2345	0.101	2	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3270	0.246	2	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	102.1050	1.006	2	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0190	0.000	1	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0560	0.294	4	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3270	0.202	4	108.4237	4.586	21	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3890	0.403	3	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0310	0.000	2	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1058	0.288	4	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7920	0.000	1	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3590	0.000	1	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1198	0.901	4	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.0190	0.000	1	109.1438	0.452	16	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3390	0.000	2	108.3390	0.000	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2660	0.588	6	108.9234	0.512	12	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1460	0.699	2	108.9234	0.512	12	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7982	0.693	4	108.9234	0.512	12	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0468	1.178	4	110.0468	1.388	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6010	0.000	1	108.4465	0.048	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.2920	0.000	1	108.4465	0.048	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.5560	0.000	1	109.6192	0.256	10	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6242	0.330	6	109.6192	0.256	10	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6055	0.008	2	109.6192	0.256	10	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6800	0.000	1	109.6192	0.256	10	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1090	0.000	1	109.0065	0.021	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9040	0.000	1	109.0065	0.021	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.5270	0.000	1	109.5270	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7800	0.280	4	108.7800	0.078	4	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6825	1.477	2	109.6825	2.182	2	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	106.6780	0.000	1	106.6780	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8350	0.000	1	109.8350	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0003	1.695	3	110.0003	2.872	3	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7290	0.000	1	108.7290	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0410	0.000	1	109.0410	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.1560	0.000	1	109.1560	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4180	0.000	1	109.4180	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8470	0.000	1	109.8470	0.000	1	108.9590	1.437	169	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[6a]C[5])	108.8717	0.339	4	108.8717	0.115	4	108.8717	0.115	4	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0687	0.150	3	110.0687	0.023	3	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2830	0.000	1	109.2830	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.4690	0.000	1	109.4690	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	108.2915	0.511	2	108.2915	0.261	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6810	0.392	3	109.2144	0.314	7	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.6145	0.164	4	109.2144	0.314	7	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.5920	0.000	1	109.1713	0.164	3	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9610	0.249	2	109.1713	0.164	3	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3620	0.137	2	109.0905	0.422	4	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.8190	0.976	2	109.0905	0.422	4	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9720	0.165	2	108.8567	0.163	7	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4125	0.374	2	108.8567	0.163	7	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]N[5])	109.0760	0.349	3	108.8567	0.163	7	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4460	0.000	1	109.4460	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0280	0.000	1	110.0280	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.3570	0.000	1	109.3175	0.003	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.2780	0.000	1	109.3175	0.003	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8270	0.000	1	109.8270	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.0000	0.272	2	107.0000	0.074	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3550	0.000	1	109.3550	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9160	0.000	1	108.6080	0.190	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.3000	0.000	1	108.6080	0.190	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	107.3450	0.000	1	107.3450	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7127	0.403	4	109.3988	0.614	5	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	108.1430	0.000	1	109.3988	0.614	5	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4435	0.303	2	109.4435	0.092	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6350	0.000	1	109.4875	0.044	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.3400	0.000	1	109.4875	0.044	2	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.9430	0.599	8	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6317	0.987	4	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.6000	0.000	1	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.2043	2.218	6	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	109.7650	0.000	1	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	108.4868	0.824	6	108.8686	1.445	26	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.8120	0.000	1	109.8120	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.4590	0.000	1	109.4590	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	110.0353	0.580	3	110.0353	0.336	3	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]N[5])	110.0890	0.000	1	110.0890	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	109.0440	0.000	1	109.0440	0.000	1	109.0829	0.874	81	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]P[5])	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	N[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	H(C[5]N[5,5]C[6a]N[5])	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,4|C<4>}	H(C[5]N[5,5]C[6a]N[5])	109.9390	0.076	2	109.9390	0.006	2	109.9390	0.006	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]P[5])	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]N[5]P[5])	109.1340	0.000	1	109.1340	0.000	1	108.9565	0.063	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H)	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]N[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]N[5]P[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]N[5]P[5])	108.7790	0.000	1	108.7790	0.000	1	108.9565	0.063	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]Si[5]C[5])	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[6a]Si[5]C[5])	107.6640	0.088	2	107.6640	0.008	2	107.6640	0.008	2	108.6682	1.925	574	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	106.6145	2.287	2	106.6145	5.233	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.3890	0.085	2	106.3890	0.007	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[6a]C[5]2)	107.9230	0.000	1	107.9230	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.8173	0.239	3	106.8173	0.057	3	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.4780	0.000	1	106.4780	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.7600	0.000	1	106.4882	0.045	8	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.4680	0.000	1	106.4882	0.045	8	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.4463	0.216	6	106.4882	0.045	8	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8830	0.000	1	107.7005	0.017	4	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.5740	0.000	1	107.7005	0.017	4	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.6725	0.039	2	107.7005	0.017	4	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.2380	0.518	2	107.2380	0.268	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.0946	0.429	9	108.0946	0.184	9	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.6565	0.342	2	106.6565	0.117	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7440	0.222	2	107.1167	0.441	3	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8620	0.000	1	107.1167	0.441	3	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.4870	0.055	2	108.4870	0.003	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3130	0.000	1	108.3130	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	106.8620	0.000	1	106.8620	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.5580	0.000	1	108.5580	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.9760	0.495	2	107.9760	0.245	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.6540	0.490	3	107.6540	0.240	3	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.9725	0.090	2	108.9725	0.008	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.0445	0.245	2	107.0445	0.060	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	109.8020	0.000	1	109.8020	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.2110	0.322	2	109.2110	0.104	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){1|Ni<8>,2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.3900	0.000	1	106.3900	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.9940	0.000	1	108.9940	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Si<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	105.0380	0.000	1	105.0380	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.0230	0.000	1	109.0230	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.7950	0.000	1	107.7950	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5570	0.000	1	107.5570	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	107.2237	0.294	4	107.2237	0.087	4	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.9010	0.017	2	108.9010	0.000	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.1790	0.000	1	109.1790	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.0440	0.014	2	106.8878	0.045	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7837	0.220	3	106.8878	0.045	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.3700	0.000	1	107.2576	0.423	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.7775	0.404	2	107.2576	0.423	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.6815	0.835	2	107.2576	0.423	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.2300	0.259	3	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.3720	0.000	1	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.1605	0.204	2	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8040	0.000	1	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	105.9980	2.756	2	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.2900	0.000	1	107.5473	1.895	10	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.9670	0.000	1	106.9670	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.3530	0.000	1	107.0555	0.177	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.7580	0.000	1	107.0555	0.177	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.2120	0.000	1	108.3646	0.297	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.4027	0.622	4	108.3646	0.297	5	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.2180	0.000	1	108.2180	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.4190	0.000	2	107.8293	1.073	7	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.7920	0.000	1	107.8293	1.073	7	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3450	1.230	2	107.8293	1.073	7	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.3210	0.000	1	107.8293	1.073	7	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.1640	0.000	1	107.8293	1.073	7	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]2)	108.2690	0.000	1	108.2690	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	109.2250	0.000	1	109.2250	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	109.1625	0.757	2	109.1625	0.574	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.6830	0.000	1	106.6830	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.7095	0.493	2	106.7095	0.243	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.6300	0.000	1	107.6300	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.5880	0.020	2	106.5880	0.000	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.2670	0.000	1	107.2670	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.3560	0.058	2	106.3560	0.003	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.3830	0.000	1	106.3830	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	109.1400	0.000	1	109.1400	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.0530	0.000	1	107.2445	0.073	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4360	0.000	1	107.2445	0.073	2	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	105.6610	0.000	1	105.6610	0.000	1	107.5257	1.063	121	107.5257	1.063	121	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6690	0.000	1	106.6690	0.000	1	105.8188	1.254	5	106.3150	2.480	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5920	0.000	1	106.5920	0.000	1	105.8188	1.254	5	106.3150	2.480	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6430	0.000	1	106.6430	0.000	1	105.8188	1.254	5	106.3150	2.480	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.5950	0.137	2	104.5950	0.019	2	105.8188	1.254	5	106.3150	2.480	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[6a]C[5])	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	106.3150	2.480	6	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<2>,1|C<4>,1|H<1>,2|F<1>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	105.1270	0.000	1	105.1270	0.000	1	105.1270	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[5]C[3,5]C[6a]C[5])	106.7700	0.000	1	106.7700	0.000	1	108.1488	2.401	5	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[3,5]C[6a]C[5])	106.4030	0.000	1	106.4030	0.000	1	108.1488	2.401	5	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[3,5]C[6a]C[5])	110.0090	0.000	1	110.0090	0.000	1	108.1488	2.401	5	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]C[5])	109.2250	0.000	1	109.2250	0.000	1	108.1488	2.401	5	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[6a]C[5])	108.3370	0.000	1	108.3370	0.000	1	108.1488	2.401	5	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[3x5]C[6a]C[5])	103.9570	0.000	1	105.7810	6.654	2	105.7810	6.654	2	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[3x5]C[6a]C[5])	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,4|C<4>}	H(C[5]C[3x5]C[6a]C[5])	107.6050	0.000	1	105.7810	6.654	2	105.7810	6.654	2	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[4,5]C[6a]C[5])	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	108.4360	0.000	1	108.4360	0.000	1	107.9962	0.446	6	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	108.6280	0.000	1	108.6280	0.000	1	107.9962	0.446	6	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	108.2540	0.000	1	108.2540	0.000	1	107.9962	0.446	6	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	107.3590	0.000	1	107.5530	0.491	3	107.9962	0.446	6	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	107.6500	0.962	2	107.5530	0.491	3	107.9962	0.446	6	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2593	0.673	3	107.1292	0.370	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.7390	0.000	1	107.1292	0.370	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.7080	0.000	1	106.7080	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.3400	0.000	1	107.3400	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5920	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5110	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.7477	0.181	8	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6180	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4950	0.105	2	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4050	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3220	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5520	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5910	0.000	1	106.6214	0.035	17	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9540	0.000	1	106.9540	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4850	0.000	1	107.4850	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0580	0.000	1	107.5383	0.197	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7785	0.217	2	107.5383	0.197	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.2200	0.000	1	109.2200	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.5550	0.000	1	107.5550	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.6370	0.000	1	105.6370	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.6450	0.232	2	108.6450	0.054	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1890	0.000	1	107.2725	0.014	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3560	0.000	1	107.2725	0.014	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3150	0.000	1	106.3150	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8040	0.016	2	106.8040	0.000	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8300	0.134	2	106.8300	0.018	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4110	0.349	15	106.4110	0.122	15	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.7195	0.298	2	106.3193	0.525	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.5190	0.000	1	106.3193	0.525	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4990	0.000	1	106.4990	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.1230	0.000	1	106.1230	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9880	0.000	1	106.9880	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.1170	0.000	1	108.1170	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1280	0.000	1	107.1280	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.3760	0.000	1	108.3760	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.5025	1.419	2	105.5025	2.014	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.8060	0.000	1	105.8060	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.5000	0.000	1	107.5000	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5870	0.619	2	106.8370	0.379	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3370	0.000	1	106.8370	0.379	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	103.8440	0.000	1	103.8440	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4898	1.973	5	106.4898	3.894	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.0152	0.265	4	107.0152	0.070	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.5600	0.640	4	107.5600	0.410	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.6140	0.000	1	104.6140	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3810	0.000	1	106.3810	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.1680	0.285	4	104.3412	0.211	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.0340	0.000	1	104.3412	0.211	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.2580	0.000	1	107.2580	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.3520	0.129	2	104.3520	0.017	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1900	0.000	1	107.1900	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.4630	1.405	4	104.4630	1.975	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.7470	0.000	1	106.7470	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2040	0.000	1	107.0074	0.871	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2337	1.124	3	107.0074	0.871	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.1320	0.000	1	107.0074	0.871	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	109.1207	0.365	3	109.1207	0.133	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7200	0.000	1	107.7200	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1425	0.056	2	106.1425	0.003	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.2090	0.000	1	104.2090	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1730	0.000	1	107.1730	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3805	0.059	2	106.5350	0.073	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8440	0.000	1	106.5350	0.073	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5840	0.000	1	106.6503	0.147	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0630	0.000	1	106.6503	0.147	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.3040	0.000	1	106.6503	0.147	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2294	0.335	9	107.3096	0.164	12	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|Br<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	107.8410	0.406	2	107.3096	0.164	12	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9680	0.000	1	107.3096	0.164	12	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.1810	0.000	1	105.1810	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8060	0.081	2	106.8060	0.006	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0380	0.000	1	106.9550	0.053	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9135	0.310	2	106.9550	0.053	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5420	0.000	1	106.4670	0.011	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3920	0.000	1	106.4670	0.011	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.7070	0.000	1	106.1350	0.358	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	105.8790	0.000	1	106.1350	0.358	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8190	0.000	1	106.1350	0.358	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.9730	0.000	1	107.9730	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8790	1.092	2	106.8872	0.322	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0400	0.000	1	106.8872	0.322	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8190	0.250	2	106.8872	0.322	5	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7860	0.506	2	105.3763	0.632	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[6a]C[5])	104.5570	0.000	1	105.3763	0.632	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3340	0.000	1	108.4680	3.579	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.5350	0.571	2	108.4680	3.579	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	H(C[5]C[5,5]C[6a]C[5])	106.5740	0.000	1	106.5740	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	104.9190	0.000	1	104.9190	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.0620	0.612	2	106.4613	0.666	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2600	0.000	1	106.4613	0.666	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.2700	0.000	1	107.2700	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.0020	0.000	1	109.0020	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8150	0.000	1	106.3780	0.188	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.1595	0.301	2	106.3780	0.188	3	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.8870	0.000	1	106.8870	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8240	0.000	1	106.8240	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4850	0.165	2	107.4850	0.027	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.6700	0.000	1	105.6700	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.2090	0.281	2	106.8065	0.922	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.6110	0.000	1	106.8065	0.922	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.1970	0.000	1	106.8065	0.922	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0420	0.000	1	107.2525	0.089	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4630	0.000	1	107.2525	0.089	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.7935	0.334	2	108.7935	0.112	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.6790	0.000	1	107.9027	0.994	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7720	0.000	1	107.9027	0.994	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.5800	1.468	2	107.9027	0.994	4	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.8340	0.385	2	108.8340	0.148	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3430	0.000	1	107.3430	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.3240	0.000	1	106.3240	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.5660	0.000	1	108.4845	2.339	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.4030	0.000	1	108.4845	2.339	2	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	109.1650	0.000	1	109.1650	0.000	1	106.7897	1.405	189	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]N[5])	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]N[5])	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[6a]C[5])	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[6a]C[5])	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	H(C[5]C[5,6,6]C[6a]S[5])	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,6,6]C[6a]S[5])	106.3630	0.222	2	106.3630	0.049	2	106.3630	0.049	2	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.1870	0.000	1	107.0170	1.115	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.7900	0.000	1	107.0170	1.115	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.3693	0.118	3	107.0170	1.115	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.8269	0.381	14	106.7372	0.303	37	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9966	0.944	8	106.7372	0.303	37	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.8600	0.000	1	106.7372	0.303	37	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6576	0.429	5	106.7372	0.303	37	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.3977	0.201	9	106.7372	0.303	37	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.7120	0.000	1	105.9340	1.211	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.1560	0.000	1	105.9340	1.211	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.2510	0.000	1	106.2510	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.5660	0.000	1	106.5660	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.7065	0.054	2	105.3278	9.409	4	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	103.9490	4.541	2	105.3278	9.409	4	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.2890	0.477	3	106.2890	0.227	3	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6210	0.000	1	106.6210	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9740	0.000	1	106.9460	0.123	8	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9420	0.378	7	106.9460	0.123	8	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.2310	1.008	4	108.0712	0.890	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.4320	0.000	1	108.0712	0.890	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.7560	0.000	1	108.4510	0.186	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.1460	0.000	1	108.4510	0.186	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5640	0.320	2	106.5640	0.102	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5275	0.405	2	107.4330	0.777	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.0367	0.325	3	107.4330	0.777	5	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	108.1450	0.000	1	108.1450	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	106.3960	0.000	1	106.3960	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.8820	0.000	1	107.8820	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5340	0.000	1	104.5340	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.6505	0.648	2	107.6505	0.420	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.7720	0.000	1	109.7720	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5840	0.095	2	104.5465	0.012	4	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5090	0.150	2	104.5465	0.012	4	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.0820	0.000	1	107.0820	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5453	0.313	3	106.5453	0.098	3	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.6260	0.000	1	105.6260	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.7750	0.000	1	105.7750	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.3880	0.000	1	107.3880	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	104.5070	0.000	1	104.5070	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.1010	0.000	1	109.1010	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.0500	0.000	1	107.0500	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.9170	0.000	1	109.9170	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[6a]C[5])	107.5850	0.000	1	107.5850	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	100.3830	0.000	1	100.3830	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.8290	0.000	1	106.1430	0.197	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.4570	0.000	1	106.1430	0.197	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.7590	0.000	1	107.7590	0.000	1	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.4400	0.201	2	107.4400	0.040	2	106.7443	1.806	105	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9190	0.000	1	107.9190	0.000	1	108.4590	0.583	2	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.9990	0.000	1	108.9990	0.000	1	108.4590	0.583	2	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6a]-3:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]P[5])	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]N[5,5]C[6a]C[5])	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[5,5]C[6a]C[5])	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.7510	0.000	1	108.7510	0.000	1	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.6355	0.117	2	108.6355	0.014	2	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.6580	1.331	2	109.6580	1.771	2	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6a]C[5]N[5])	107.9060	0.000	1	107.9060	0.000	1	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	108.5145	0.136	2	108.5145	0.019	2	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]N[5])	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]N[5])	109.7400	0.625	2	109.7400	0.391	2	108.9753	0.683	10	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.6402	0.180	4	107.6402	0.032	4	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	106.4977	0.506	4	106.4977	0.256	4	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	106.8953	0.763	15	107.1020	0.635	19	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.8773	0.275	4	107.1020	0.635	19	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.0030	1.362	4	107.0030	1.856	4	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	108.5660	0.000	1	108.5660	0.000	1	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	106.5050	0.000	1	106.5050	0.000	1	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.7190	0.000	1	107.6585	0.007	2	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.5980	0.000	1	107.6585	0.007	2	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.0640	0.000	1	107.0640	0.000	1	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	105.8877	0.627	4	105.8877	0.393	4	107.0126	0.780	40	106.9077	1.633	367	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3850	0.000	1	106.7700	5.216	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	105.1550	0.000	1	106.7700	5.216	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.5705	0.293	2	107.5705	0.086	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.1630	0.000	1	107.1630	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.3000	0.000	1	108.1590	0.242	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.5650	0.000	1	108.1590	0.242	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.6120	0.000	1	108.1590	0.242	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[6a]C[5]2)	105.1610	0.000	1	105.1610	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	105.5450	0.000	1	105.5450	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	107.3720	0.000	1	107.3720	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	104.4700	0.000	1	104.4700	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[6a]C[5]2)	104.8630	0.000	1	104.8630	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]2)	108.1200	0.000	1	108.1200	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	108.4790	0.000	1	108.4790	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.7340	0.000	1	108.7340	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.7700	0.000	1	106.3850	0.203	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.1925	0.429	2	106.3850	0.203	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	107.6940	0.000	1	107.6940	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.5050	0.000	1	108.5050	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[6a]C[5]2)	106.8780	0.000	1	106.8780	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.7710	0.820	2	108.7710	0.673	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.3390	0.000	1	108.3390	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.2020	0.000	1	107.2020	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.4603	0.477	3	107.1958	0.432	4	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<2>,5|C<3>}	H(C[5]C[6a]C[5]2)	106.4020	0.000	1	107.1958	0.432	4	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	106.9070	0.074	2	106.9070	0.005	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[6a]C[5]2)	110.4940	1.803	2	110.4940	3.251	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	H(C[5]C[6a]C[5]2)	107.1805	0.622	2	107.1805	0.386	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.7325	0.213	2	106.6830	0.030	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]C[5]2)	106.5840	0.000	1	106.6830	0.030	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|C<6>,5|H<1>}	H(C[5]C[6a]C[5]2)	107.2140	0.000	1	107.2140	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<6>,6|H<1>}	H(C[5]C[6a]C[5]2)	108.2020	0.000	1	108.2020	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]C[5]2)	106.3035	0.347	2	106.3035	0.121	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.6157	0.925	3	108.6157	0.856	3	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7330	0.000	1	107.9555	0.811	11	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.8777	0.909	10	107.9555	0.811	11	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.6895	0.517	2	107.6895	0.267	2	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	107.6190	0.000	1	107.6190	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	H(C[5]C[6a]C[5]2)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]2)	108.7160	0.000	1	108.7160	0.000	1	107.5323	1.570	61	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.8830	0.055	2	108.8502	0.012	4	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Cu<5>,1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.9390	0.000	1	108.8502	0.012	4	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]CuC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Cu<5>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.6960	0.000	1	108.8502	0.012	4	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MgC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Mg<5>,1|Mg<6>,1|C<3>,6|C<4>}	H(C[5]C[6a]N[5]2)	108.4340	0.000	1	108.4340	0.000	1	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[6a]N[5]2)	107.8350	0.740	3	107.9034	0.196	7	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]MnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Mn<6>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[6a]N[5]2)	107.9547	0.134	4	107.9034	0.196	7	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.3350	0.000	1	108.5230	0.016	10	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Cl<1>,2|Ni<6>,1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.5760	0.000	1	108.5230	0.016	10	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.4960	0.000	1	108.5230	0.016	10	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]NiC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Ni<6>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.5461	0.132	7	108.5230	0.016	10	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){1|Br<1>,1|Zn<5>,1|Zn<6>,1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	108.8530	0.000	1	109.1853	0.105	3	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	3:3:4:	4:	N[5]-4:N[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H)	H(C[5]C[6a]N[5]2)	C[5](N[5]C[5]ZnC)2(C[6a]C[6a]2)(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2H){2|Zn<5>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[6a]N[5]2)	109.3515	0.210	2	109.1853	0.105	3	108.4778	0.248	25	107.8071	1.365	86	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:2:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[6a]-2:N[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|H<1>,4|C<3>}	H(C[5]C[6a]B[5]C[5])	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[5]C[3,5]C[5,5]C[6a])	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>,4|C<4>}	H(C[5]C[3,5]C[5,5]C[6a])	106.0590	0.000	1	106.0590	0.000	1	106.0590	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	H(C[5]C[3,5]C[5,6]C[6a])	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[3,5]C[5,6]C[6a])	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5]-4:P[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H)	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[3,5]C[6a]P[5])	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2{1|O<2>,1|W<6>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[6a]P[5])	105.7170	0.000	1	105.7170	0.000	1	105.7170	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[4,5]C[6a]C[5])	108.0010	0.000	1	107.0340	1.870	2	107.0340	1.870	2	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[4,5]C[6a]C[5])	106.0670	0.000	1	107.0340	1.870	2	107.0340	1.870	2	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6,6]C[6a]C[5])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6,6]C[6a]C[5])	107.1980	0.000	1	107.1980	0.000	1	107.1980	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.0950	0.000	1	107.5597	0.184	6	107.4964	0.145	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.7383	0.257	3	107.5597	0.184	6	107.4964	0.145	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.5240	0.689	2	107.5597	0.184	6	107.4964	0.145	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.3210	0.000	1	107.3210	0.000	1	107.4964	0.145	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[5,5]C[6a])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]C[6a])	107.2920	0.000	1	107.2920	0.000	1	107.4964	0.145	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	106.7450	0.000	1	106.7450	0.000	1	107.2698	0.158	5	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]C[6a]C[5])	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[6a]C[5])	107.4010	0.311	4	107.4010	0.096	4	107.2698	0.158	5	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	107.8230	0.000	1	107.8230	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.8600	0.000	1	107.0115	0.046	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]2C[6a])	107.1630	0.000	1	107.0115	0.046	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2C[6a])	106.7380	0.000	1	106.7380	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2C[6a])	107.2560	0.000	1	106.7235	0.100	10	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.6260	0.351	5	106.7235	0.100	10	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.7450	0.171	3	106.7235	0.100	10	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.6140	0.000	1	106.7235	0.100	10	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.9850	0.000	1	106.9850	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]2C[6a])	106.8470	0.000	1	106.8470	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2C[6a])	106.7750	0.000	2	106.7750	0.000	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.8440	0.000	1	106.8440	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.5160	0.000	1	106.5160	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.3030	0.000	1	106.3030	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.8090	0.000	1	106.8090	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.2550	0.000	1	106.2550	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	H(C[5]C[5,5]2C[6a])	102.7315	0.043	2	103.7482	0.906	5	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.2595	0.107	2	103.7482	0.906	5	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.7590	0.000	1	103.7482	0.906	5	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]2C[6a])	104.2110	0.000	2	104.2110	0.000	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.8210	0.000	1	104.8210	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.1000	0.000	1	104.4360	0.226	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	104.7720	0.000	1	104.4360	0.226	2	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	105.0830	0.000	1	105.0830	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5]2C[6a])	104.2350	0.000	1	104.2350	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]2C[6a])	106.8050	0.000	1	106.8050	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	H(C[5]C[5,5]2C[6a])	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]2C[6a])	106.0390	0.000	1	106.0390	0.000	1	105.9175	1.750	37	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.5440	0.000	1	107.4715	0.011	2	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.3990	0.000	1	107.4715	0.011	2	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	105.4000	0.000	1	105.4000	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.7595	0.275	2	106.7595	0.076	2	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	108.3630	0.000	1	108.3630	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0520	0.000	1	107.0520	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	107.2080	0.000	1	107.2080	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6770	0.000	1	104.7937	0.010	3	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]C[6a])	104.8520	0.021	2	104.7937	0.010	3	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.9170	0.000	1	106.9170	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]C[6a])	108.0370	0.000	1	108.0370	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.1403	0.307	6	106.9125	0.166	13	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5910	0.000	1	106.9125	0.166	13	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	107.0945	0.299	2	106.9125	0.166	13	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.0950	0.000	1	106.9125	0.166	13	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.7153	0.285	3	106.9125	0.166	13	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.1830	0.000	1	105.1627	0.932	3	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	104.6525	0.549	2	105.1627	0.932	3	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	104.7170	0.000	1	104.7170	0.000	1	106.5296	1.154	30	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0140	0.000	1	108.0140	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.2970	0.000	1	108.2970	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[6a]C[5])	105.7750	0.000	1	105.7750	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1550	0.000	1	107.1550	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.4980	0.000	1	106.4980	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.1180	0.091	2	106.1180	0.008	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.4580	0.000	1	108.4580	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.2710	0.000	1	106.2710	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.0580	0.000	1	107.6607	0.306	3	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7790	0.000	1	107.6607	0.306	3	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.1450	0.000	1	107.6607	0.306	3	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7540	0.000	1	105.7540	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.0720	0.000	1	107.2664	0.739	5	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.5650	0.625	4	107.2664	0.739	5	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.6040	0.092	2	106.6040	0.008	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.7790	0.000	1	105.7790	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.9273	0.280	9	105.9273	0.078	9	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8355	0.194	2	106.8355	0.038	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	104.6780	0.000	1	104.8515	0.060	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	105.0250	0.000	1	104.8515	0.060	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.5240	0.211	2	106.5240	0.044	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.6920	0.000	1	106.6920	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.8510	0.000	1	106.8510	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.1320	0.000	1	107.1320	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.4270	0.000	1	106.4270	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9130	0.581	2	106.9130	0.338	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.6150	0.000	1	107.6150	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.3830	0.000	1	107.3830	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>,3|N<3>}	H(C[5]C[5,5]C[6a]C[5])	107.1020	0.000	1	107.1020	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5365	0.221	2	106.5960	0.021	4	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.6555	0.011	2	106.5960	0.021	4	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0970	0.255	2	108.0970	0.065	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7745	0.422	2	107.7745	0.178	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.9940	0.385	2	108.0886	0.225	11	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.7810	0.000	1	108.0886	0.225	11	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.6810	0.000	1	108.0886	0.225	11	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.1420	0.000	1	108.0886	0.225	11	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.0638	0.571	6	108.0886	0.225	11	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	108.3610	0.000	1	108.3610	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.9665	0.202	2	106.9665	0.041	2	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.0300	0.000	1	106.0300	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	108.6600	0.000	1	108.6600	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	107.5530	0.000	1	107.5530	0.000	1	107.0171	0.946	70	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]N[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[6a])	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]C[6a])	104.8185	0.385	2	104.8185	0.149	2	105.3840	1.034	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]C[6a])	106.5150	0.000	1	106.5150	0.000	1	105.3840	1.034	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]2C[6a])	107.3460	0.000	1	107.3460	0.000	1	106.5138	0.409	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]2C[6a])	106.7645	0.232	4	106.7645	0.054	4	106.5138	0.409	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	H(C[5]C[5,6]2C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]2C[6a])	105.9020	0.563	3	105.9020	0.317	3	106.5138	0.409	8	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9440	0.000	1	106.9440	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.0590	0.000	1	108.0590	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5703	0.390	3	106.5703	0.152	3	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.6270	0.000	1	107.6270	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.1100	0.000	1	108.1100	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	106.4420	0.000	1	106.4420	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.6845	1.088	2	105.6845	1.184	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.7240	0.000	1	105.7240	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.2320	0.392	2	106.2320	0.153	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.5150	0.000	1	106.5150	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	105.2010	0.000	1	106.1720	1.886	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.1430	0.000	1	106.1720	1.886	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.4420	0.000	1	108.4420	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.0480	0.000	1	106.0480	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.4320	1.291	2	108.4320	1.667	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.6025	0.005	2	107.9493	0.591	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.2960	0.255	2	107.9493	0.591	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.1280	0.154	2	106.0113	0.053	3	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6]C[6a]C[5])	105.7780	0.000	1	106.0113	0.053	3	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.6830	0.000	1	106.6830	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.1105	0.076	2	106.1105	0.006	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.1885	0.351	2	108.1885	0.124	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5005	0.607	4	108.5005	0.369	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.1025	0.210	2	109.1025	0.044	2	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	107.9630	0.000	1	107.9630	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[6a]C[5])	105.0330	0.000	1	105.0330	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	108.5760	1.411	2	107.5920	2.016	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.3060	0.000	1	107.5920	2.016	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.9100	0.000	1	107.5920	2.016	4	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[6a]C[5])	109.1330	0.000	1	109.1330	0.000	1	107.2551	1.584	45	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[6a]C[5])	106.9250	0.000	1	106.9250	0.000	1	106.7013	0.185	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[6a]C[5])	106.5895	0.542	2	106.5895	0.294	2	106.7013	0.185	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5,6]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[6a]C[5])	106.7055	2.388	2	106.7055	5.702	2	106.7055	5.702	2	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	106.2030	0.000	1	106.2030	0.000	1	107.3190	2.491	2	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]N[5])	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]N[5])	108.4350	0.000	1	108.4350	0.000	1	107.3190	2.491	2	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]Si[5]C[5])	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[6a]Si[5]C[5])	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2	H(C[5]C[5,5,6]N[5,6,6]C[6a])	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5,6,6]C[6a])	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.2380	1.066	2	107.1817	0.578	3	107.1817	0.578	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	4:4:3:1:	4:3:3:	4:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	H(C[5]C[6a]C[5]P[5])	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.0690	0.000	1	107.1817	0.578	3	107.1817	0.578	3	106.8024	1.403	226	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	5:3:3:1:	4:3:3:	4:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2	H(C[5]Si[4,5]C[6a]C[5])	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>,3|N<3>}	H(C[5]Si[4,5]C[6a]C[5])	105.8695	1.910	2	105.8695	3.648	2	105.8695	3.648	2	105.8695	3.648	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	108.8465	0.349	2	108.8465	0.122	2	108.8465	0.122	2	108.8465	0.122	2	108.5370	2.290	4437	108.6008	2.364	5036
474	643	951	0:SP3_SP-NON_SP2	C[5]	C[6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2	H(C[5]C[5x3,6x5,20x6]C[6a]C[5])	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	H(C[5]C[5x3,6x5,20x6]C[6a]C[5])	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	108.5370	2.290	4437	108.6008	2.364	5036