490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:1:	3:3:4:	4:2:4:	C[5,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:N[5,6]-2:C-4:	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	111.9897	4.754	3	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5,6]	3:3:3:2:	4:3:2:	4:3:4:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:N[6a]-2:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	111.9897	4.754	3	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5,6]	3:3:3:2:	4:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.9897	4.754	3	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	2:2:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-2:S[5]-2:C-4:	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	112.5383	3.086	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	2:2:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	O[5]-2:N[5]-2:C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	111.9850	0.000	1	113.2450	3.175	2	113.2450	3.175	2	112.5383	3.086	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	2:2:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	O[5]-2:N[5]-2:C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>}	114.5050	0.000	1	113.2450	3.175	2	113.2450	3.175	2	112.5383	3.086	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:2:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH){1|Cl<1>,2|C<4>,2|H<1>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-3:C[5]-3:C-4:	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	113.7103	0.788	3	113.7103	0.622	3	113.7103	0.622	3	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	112.9090	0.000	1	112.9090	0.000	1	114.2700	1.386	7	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH){1|N<2>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	114.8505	0.252	2	114.8505	0.064	2	114.2700	1.386	7	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	114.3200	1.380	4	114.3200	1.905	4	114.2700	1.386	7	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH){1|H<1>,3|C<3>}	116.0160	0.000	1	116.0160	0.000	1	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	114.4470	0.000	1	114.4470	0.000	1	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH){1|B<4>,1|H<1>,2|C<3>}	114.4620	1.039	6	114.4620	1.079	6	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH){5|C<3>}	116.2710	0.000	1	116.2710	0.000	1	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	116.0710	0.000	1	116.0710	0.000	1	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	113.5810	1.295	2	113.5810	1.678	2	114.7283	1.459	12	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5,6]-3:N[5]-3:C-4:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]Pt)(CC[6a]HH)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]Pt)(CC[6a]HH){1|H<1>,3|C<3>}	113.5700	0.000	1	113.5700	0.000	1	113.5700	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]HH){2|H<1>,5|C<3>}	C[5](C[5]N[5]C)2(CC[6a]HH){2|Pd<4>}	111.7545	0.779	2	111.7545	0.606	2	111.7545	0.606	2	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	115.1560	0.000	1	115.1560	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	C[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	114.6500	0.000	1	114.6500	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	112.2880	0.000	1	112.2880	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH)	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	116.1833	2.323	8	116.1833	5.397	8	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	116.1170	0.000	1	116.1170	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	121.2470	0.000	1	121.2470	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	114.8385	0.421	2	115.1560	0.391	3	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	115.7910	0.000	1	115.1560	0.391	3	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	116.1890	0.000	1	116.1890	0.000	1	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	115.4312	1.104	6	115.2631	1.950	9	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	114.9270	2.121	3	115.2631	1.950	9	115.6903	4.114	26	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	114.7775	0.767	2	114.7775	0.589	2	115.6300	2.475	3	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[6a]C[5])2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]HH){2|H<1>,4|C<3>}	117.3350	0.000	1	117.3350	0.000	1	115.6300	2.475	3	114.8782	3.323	59	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	112.6060	1.240	2	112.7641	2.739	7	112.7641	2.739	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	114.3580	0.000	1	112.7641	2.739	7	112.7641	2.739	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	112.0150	0.000	1	112.7641	2.739	7	112.7641	2.739	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	109.8020	0.000	1	112.7641	2.739	7	112.7641	2.739	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	113.9810	0.083	2	112.7641	2.739	7	112.7641	2.739	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:O[5]-2:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	112.9625	1.965	2	112.9625	3.861	2	112.9625	3.861	2	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S[5]-2:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	113.7910	0.000	1	113.7910	0.000	1	113.6071	3.007	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S[5]-2:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5]){1|N<2>,2|C<3>}	112.2390	0.000	1	112.2390	0.000	1	113.6071	3.007	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S[5]-2:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	112.5935	0.907	2	113.8440	3.963	5	113.6071	3.007	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S[5]-2:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	114.6777	2.216	3	113.8440	3.963	5	113.6071	3.007	7	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	112.0530	0.000	1	112.0530	0.000	1	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	112.2170	0.000	1	112.2170	0.000	1	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	114.1540	0.000	1	112.8363	1.256	4	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	112.3970	0.852	3	112.8363	1.256	4	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	112.6210	0.000	1	115.2807	28.005	6	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	115.8126	5.734	5	115.2807	28.005	6	113.9416	15.089	12	113.4970	7.540	29	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	114.0370	0.000	1	114.0370	0.000	1	113.3887	0.400	3	113.3887	0.400	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	113.3550	0.000	1	113.3550	0.000	1	113.3887	0.400	3	113.3887	0.400	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	112.7740	0.000	1	112.7740	0.000	1	113.3887	0.400	3	113.3887	0.400	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	112.1940	0.000	1	112.1940	0.000	1	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	111.9920	0.000	1	111.9920	0.000	1	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	113.0810	0.000	1	113.0810	0.000	1	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	112.2740	0.000	1	112.2740	0.000	1	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	113.5960	0.000	1	112.8778	0.291	4	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	112.6383	0.304	3	112.8778	0.291	4	112.6315	0.292	8	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:2:2:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](CC[6a]HH)(N[5]N[5])2	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](CC[6a]HH)(N[5]N[5])2	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	112.8981	0.895	9	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	111.3410	0.000	1	111.3410	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	110.6880	0.000	1	110.6880	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	112.7170	1.188	2	112.7170	1.411	2	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	113.1810	0.000	1	113.1810	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	112.7125	0.446	2	112.7125	0.199	2	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	114.5850	0.000	1	114.5850	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	114.7910	0.453	2	114.7910	0.205	2	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	113.2980	0.000	1	113.2980	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	114.1040	0.000	1	114.1040	0.000	1	113.1365	1.844	12	113.1365	1.844	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5]){3|C<3>}	112.6180	0.000	1	112.6180	0.000	1	112.4425	0.062	2	112.4425	0.062	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:4:2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>}	112.2670	0.000	1	112.2670	0.000	1	112.4425	0.062	2	112.4425	0.062	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:2:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:2:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:Se[5]-2:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	111.4575	1.559	2	111.4575	2.431	2	111.4575	2.431	2	111.4575	2.431	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5,5]-3:N[5]-3:C-4:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO){2|C<3>,2|C<4>,2|H<1>}	109.8547	0.497	3	109.8547	0.247	3	109.8547	0.247	3	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	111.6060	0.000	1	111.6060	0.000	1	112.7831	1.549	7	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	112.2675	1.569	2	112.2675	2.462	2	112.7831	1.549	7	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	113.5180	0.000	1	113.5180	0.000	1	112.7831	1.549	7	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	113.9980	0.714	2	113.9980	0.510	2	112.7831	1.549	7	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	111.8270	0.000	1	111.8270	0.000	1	112.7831	1.549	7	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO){2|C<3>,2|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.6885	0.261	2	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](N[5]C[6a]C[5])2(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]HO){2|H<1>,4|C<3>}	110.0500	0.000	1	110.0500	0.000	1	109.6885	0.261	2	111.5353	3.295	12	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	4:3:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	111.4440	0.000	1	111.4440	0.000	1	111.7460	0.182	2	112.4988	2.331	5	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	4:3:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	112.0480	0.000	1	112.0480	0.000	1	111.7460	0.182	2	112.4988	2.331	5	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	112.4988	2.331	5	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	114.0975	0.183	2	114.0975	0.034	2	114.0975	0.034	2	112.4988	2.331	5	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:S[5]-3:C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	113.9073	8.755	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	113.9073	8.755	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	113.9073	8.755	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:C[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	111.7420	2.171	2	111.7420	4.712	2	111.7420	4.712	2	112.9487	2.986	11	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	113.3875	0.062	2	113.3875	0.004	2	112.9930	2.568	8	112.9487	2.986	11	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	112.8395	2.367	2	112.8395	5.601	2	112.9930	2.568	8	112.9487	2.986	11	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	112.8725	1.996	4	112.8725	3.986	4	112.9930	2.568	8	112.9487	2.986	11	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H){1|C<3>,2|H<1>}	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	112.9487	2.986	11	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	S[5]-4:C[5]-3:C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	113.7610	3.272	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	113.7610	3.272	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H){2|H<1>}	112.5271	1.701	12	112.5271	2.893	12	112.5271	2.893	12	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	111.7531	2.649	24	111.7531	7.020	24	111.8041	6.143	30	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	112.0080	1.810	6	112.0080	3.275	6	111.8041	6.143	30	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	112.7580	0.000	1	112.7580	0.000	1	112.9887	3.639	4	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	111.7475	0.648	2	111.7475	0.420	2	112.9887	3.639	4	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	115.7020	0.000	1	115.7020	0.000	1	112.9887	3.639	4	112.0957	5.086	46	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C-4:O[5]-2:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	111.7555	4.751	2	111.7555	22.572	2	111.7555	22.572	2	111.2873	4.198	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C-4:S[5]-2:	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5]){1|S<1>}	110.6055	0.335	4	110.6055	0.113	4	110.6055	0.113	4	111.2873	4.198	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:C-4:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5]){2|C<4>,2|H<1>}	111.7985	3.426	2	111.7985	11.737	2	111.7985	11.737	2	111.2873	4.198	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	111.6715	0.141	2	111.6715	0.020	2	111.6715	0.020	2	111.2873	4.198	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:Se[5]-2:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	112.7985	0.118	2	112.7985	0.014	2	112.7985	0.014	2	112.7985	0.014	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:C[5]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	112.7980	2.120	4	112.7980	4.494	4	112.8183	2.715	6	112.8183	2.715	6	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:C[5]-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	112.8590	0.294	2	112.8590	0.087	2	112.8183	2.715	6	112.8183	2.715	6	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:4:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-4:N[5]-2:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:4:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn){1|C<3>,1|H<1>}	109.8935	0.549	2	109.8935	0.302	2	109.8935	0.302	2	109.8935	0.302	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	108.2850	0.000	1	106.8725	1.041	4	106.8725	1.041	4	106.8725	1.041	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	106.2035	0.477	2	106.8725	1.041	4	106.8725	1.041	4	106.8725	1.041	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	106.7980	0.000	1	106.8725	1.041	4	106.8725	1.041	4	106.8725	1.041	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	3:4:2:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:S[5]-2:	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[5]2O)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a])	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[5]2O){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a]){2|C<3>}	111.7628	3.125	6	111.7628	9.767	6	111.7628	9.767	6	111.7628	9.767	6	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(CC[5]2N)	C[5](CC[6a]C[5]N)(N[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(CC[5]2N){1|C<3>,2|F<1>}	C[5](CC[6a]C[5]N)(N[5]C[5]O)2{4|C<4>}	111.1475	4.147	2	111.1475	17.199	2	111.1475	17.199	2	108.9430	2.482	27	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	108.4683	1.592	6	108.4683	2.536	6	108.7666	1.535	25	108.9430	2.482	27	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	108.5475	0.700	4	108.5475	0.489	4	108.7666	1.535	25	108.9430	2.482	27	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	109.2253	1.275	11	109.2253	1.625	11	108.7666	1.535	25	108.9430	2.482	27	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:N[5]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	108.1718	0.814	4	108.1718	0.663	4	108.7666	1.535	25	108.9430	2.482	27	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[5]C)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(CC[6a]2C){2|H<1>}	108.9060	2.824	2	108.9060	7.976	2	108.9060	7.976	2	109.9775	4.190	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	111.0490	0.014	2	111.0490	0.000	2	111.0490	0.000	2	109.9775	4.190	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:2:	4:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:C-4:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	107.2605	2.949	2	107.2605	8.699	2	107.2605	8.699	2	107.2605	8.699	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:C[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	110.8918	2.559	6	110.8918	6.549	6	110.8918	6.549	6	111.0024	5.543	7	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-3:C[5]-3:	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]O)	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]O){1|C<3>,2|H<1>}	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.0024	5.543	7	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])2(CC[6a]3)	C(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]3){2|H<1>,4|C<3>}	109.4737	4.462	3	109.4737	19.912	3	109.4737	19.912	3	109.4737	19.912	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	111.8790	1.538	4	111.8790	2.366	4	111.8790	2.366	4	111.2704	3.745	8	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	109.4065	1.754	2	109.4065	3.078	2	110.6617	5.384	4	111.2704	3.745	8	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	111.9170	2.602	2	111.9170	6.771	2	110.6617	5.384	4	111.2704	3.745	8	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:C[5]-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	108.6865	1.832	2	108.6865	3.357	2	108.6865	3.357	2	108.6865	3.357	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:3:4:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](CC[5a]C[5]C)(C[6a]C[6a]F)2	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](CC[5a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	113.3650	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5]-3:P[5]-3:C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH){1|C<3>,1|C<4>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:2:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:Se[5]-2:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	113.6582	1.117	4	113.6582	1.248	4	111.2249	4.997	10	111.2249	4.997	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:2:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:Se[5]-2:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	109.4170	0.851	3	109.4170	0.724	3	111.2249	4.997	10	111.2249	4.997	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:2:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:Se[5]-2:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	109.7883	0.219	3	109.7883	0.048	3	111.2249	4.997	10	111.2249	4.997	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	116.5530	0.000	1	116.5530	0.000	1	116.5530	0.000	1	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	112.9340	0.000	1	112.9340	0.000	1	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	113.2100	0.000	1	113.2100	0.000	1	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	112.2280	0.000	1	112.2280	0.000	1	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	115.7050	0.000	1	114.2020	4.518	2	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	112.6990	0.000	1	114.2020	4.518	2	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	110.0050	0.000	1	110.0050	0.000	1	112.7968	3.355	6	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[6a]C[5])2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]CH){2|H<1>,4|C<3>}	116.0530	0.000	1	116.0530	0.000	1	114.5650	4.428	2	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[6a]C[5])2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]CH){2|H<1>,4|C<3>}	113.0770	0.000	1	113.0770	0.000	1	114.5650	4.428	2	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	113.7568	4.186	10	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5]){2|C<3>,2|H<1>}	111.3290	0.000	1	111.3290	0.000	1	112.1804	0.881	5	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	112.3932	0.934	4	112.3932	0.873	4	112.1804	0.881	5	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:O[5]-2:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]CH)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	108.8215	0.093	2	108.8215	0.009	2	108.8215	0.009	2	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	110.5580	0.000	1	110.5580	0.000	1	110.5294	1.412	11	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|C<4>,1|S<1>}	111.2803	0.367	6	110.4406	1.682	9	110.5294	1.412	11	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	108.7610	0.208	3	110.4406	1.682	9	110.5294	1.412	11	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	111.3000	0.000	1	111.3000	0.000	1	110.5294	1.412	11	110.7982	2.107	18	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5]-4:C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	4:2:2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<4>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	112.2880	1.131	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	112.2880	1.131	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	4:4:2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:N[5]-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5]){2|H<1>}	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:P[5]-4:C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(CC[5]BH)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(CC[5]BH){1|C<3>,2|F<1>}	C[5](P[5]C[6a]2C[5])2(CC[6a]BH){1|B<4>,1|H<1>,8|C<3>}	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:2:	3:3:4:	3:3:4:	C[5]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:4:	2:2:4:	4:2:2:	C[5]-3:C[6a]-3:C-4:C-4:	N[6a]-2:N[6a]-2:C-4:	C-4:N[5]-2:O[5]-2:	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>}	108.3815	0.740	2	108.3815	0.548	2	108.3815	0.548	2	108.3815	0.548	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[5]CC)	C[5](N[5]C[5]Fe)(CC[6a]CC)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[5]Fe)(CC[6a]CC)(O[5]C[5]){2|C<4>,2|H<1>}	112.4450	0.000	1	112.4450	0.000	1	110.8220	5.268	2	110.8220	5.268	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CC)	C[5](N[5]C[5]Pd)(CC[6a]CC)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[5]Pd)(CC[6a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	110.8220	5.268	2	110.8220	5.268	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:4:3:1:	3:3:4:	3:3:4:	C[5]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	111.1137	0.657	4	111.1137	0.432	4	111.1137	0.432	4	111.1137	0.432	4	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	108.1688	2.348	12	108.1688	5.514	12	108.1688	5.514	12	108.2290	4.715	14	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:O[5]-2:	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5])	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5]){4|H<1>}	108.5905	0.575	2	108.5905	0.330	2	108.5905	0.330	2	108.2290	4.715	14	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:N[5]-3:	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H)	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H){1|C<4>}	110.8210	6.160	2	110.8210	37.949	2	110.8210	37.949	2	110.8210	37.949	2	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	4:3:3:1:	3:3:4:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	114.5345	0.511	2	114.5345	0.261	2	113.6360	2.553	3	113.6360	2.553	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	4:3:3:1:	3:3:4:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5]-3:C[5]-3:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	111.8390	0.000	1	111.8390	0.000	1	113.6360	2.553	3	113.6360	2.553	3	112.0604	7.678	362	112.0599	7.641	365
490	643	818	0:SP3_SP2_SP2	C	C[6a]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5]-3:C[5]-3:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	113.3280	0.252	2	113.3280	0.063	2	113.3280	0.063	2	113.3280	0.063	2	112.0604	7.678	362	112.0599	7.641	365
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	113.8967	3.698	3	113.8967	13.674	3	112.1969	3.354	56	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	F(CC[6a]FF)	111.8060	0.860	3	111.8060	0.740	3	112.1969	3.354	56	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])2(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	F(CC[6a]FF)	111.3360	0.920	27	111.3360	0.846	27	112.1969	3.354	56	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	F(CC[6a]FF)	113.0936	1.598	12	113.0370	4.012	23	112.1969	3.354	56	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.9752	2.451	11	113.0370	4.012	23	112.1969	3.354	56	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:O[6a]-2:C-4:	C-4:	C(C[6a]N[6a]O[6a])(F)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]O[6a])(F)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3){1|O<1>,2|C<3>}	F(CC[6a]FF)	111.4213	0.848	3	111.4213	0.719	3	111.4213	0.719	3	112.1575	3.235	59	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|N<3>,1|O<2>}	F(CC[6a]FF)	112.8135	0.671	6	112.7574	1.047	9	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	F(CC[6a]FF)	112.6453	1.741	3	112.7574	1.047	9	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|C<3>,1|N<2>,1|N<3>}	F(CC[6a]FF)	111.4435	1.261	2	112.2091	0.618	8	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	112.4643	0.485	6	112.2091	0.618	8	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,1|O<1>,1|S<2>}	F(CC[6a]FF)	111.5893	1.289	3	112.2592	1.399	6	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	F(CC[6a]FF)	112.9290	0.701	3	112.2592	1.399	6	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	F(CC[6a]FF)	112.1372	0.731	12	112.1372	0.535	12	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	F(CC[6a]FF)	112.1399	0.641	27	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	F(CC[6a]FF)	112.0290	0.648	18	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	F(CC[6a]FF)	112.7703	0.904	3	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.1590	1.088	77	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	113.9740	0.463	3	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<3>}	F(CC[6a]FF)	112.1395	0.655	15	112.1879	0.894	143	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3){3|C<3>}	F(CC[6a]FF)	112.5610	0.796	3	112.5610	0.633	3	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	112.4753	1.735	3	112.4753	3.012	3	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3){2|C<3>}	F(CC[6a]FF)	112.3883	0.904	3	112.3883	0.818	3	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	F(CC[6a]FF)	112.0133	0.769	3	112.0133	0.591	3	112.2256	0.880	190	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(F)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]O[6a])(F)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(CF3){1|O<1>,4|C<3>}	F(CC[6a]FF)	111.8123	0.896	3	111.8123	0.802	3	111.6489	0.944	9	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	2:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(F)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]O[6a])(F)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CF3){1|O<1>,2|C<3>}	F(CC[6a]FF)	111.5672	1.080	6	111.5672	1.166	6	111.6489	0.944	9	112.1995	0.892	199	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	F(CC[6a]FF)	112.0680	0.170	3	112.0680	0.029	3	112.1125	2.010	6	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[5a,6a]N[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	F(CC[6a]FF)	112.1570	2.234	3	112.1570	4.989	3	112.1125	2.010	6	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]N[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3){1|H<1>,4|C<3>}	F(CC[6a]FF)	112.6773	0.891	3	112.6773	0.793	3	112.6773	0.793	3	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3){1|C<4>,4|C<3>}	F(CC[6a]FF)	112.2547	0.559	3	112.2547	0.313	3	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.1820	0.531	6	112.4083	0.681	15	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	112.6520	1.165	6	112.4083	0.681	15	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){3|C<3>}	F(CC[6a]FF)	112.3737	0.574	3	112.4083	0.681	15	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.1456	0.868	9	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.8400	0.494	3	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]FF)	112.3308	0.556	6	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|P<3>}	F(CC[6a]FF)	112.2963	0.597	3	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>,1|N<3>}	F(CC[6a]FF)	112.3680	0.700	3	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	113.1633	1.694	36	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|H<1>,1|N<2>,1|O<2>}	F(CC[6a]FF)	111.6997	0.722	3	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){3|C<3>}	F(CC[6a]FF)	112.2443	1.028	3	112.7503	1.985	66	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.7942	1.308	36	112.7942	1.712	36	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3){1|C<3>,1|H<1>}	F(CC[6a]FF)	112.4500	1.527	3	112.4500	2.331	3	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3){4|C<3>}	F(CC[6a]FF)	112.5203	1.064	6	112.5203	1.132	6	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>}	F(CC[6a]FF)	111.4610	0.464	3	111.4610	0.215	3	112.6656	1.657	132	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[5a,6a]N[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	F(CC[6a]FF)	C(C[6a]N[5a,6a]N[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	F(CC[6a]FF)	112.0163	0.447	3	112.0163	0.200	3	112.0163	0.200	3	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	F(CC[6a]FF)	C(C[6a]N[6a]2)(F)3	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	F(CC[6a]FF)	109.4487	1.804	3	109.4487	3.255	3	109.4487	3.255	3	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH)	F(CC[6a]FH)	C(C[6a]C[6a]N[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH){1|C<2>,1|C<3>,1|H<1>}	F(CC[6a]FH)	109.6785	0.441	2	109.6785	0.194	2	109.6785	0.194	2	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	F(CC[6a]HH)	C(C[6a]C[6a]N[6a])(F)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	F(CC[6a]HH)	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	112.5039	1.982	150	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:F-1:F-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(Cl)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CClFF)	F(CC[6a]ClF)	C(C[6a]C[6a,6a]2)(Cl)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CClFF){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	F(CC[6a]ClF)	111.3385	2.341	2	111.3385	5.481	2	111.3385	5.481	2	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(F)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[5,6a]C[6a])(F)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.9930	0.825	3	112.7045	0.518	6	112.7045	0.518	6	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(F)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[5,6a]C[6a])(F)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	F(CC[6a]FF)	112.4160	0.604	3	112.7045	0.518	6	112.7045	0.518	6	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[5a,6a]C[6a])(F)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	F(CC[6a]FF)	113.1786	0.494	9	113.1786	0.244	9	113.1786	0.244	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	F(CC[6a]FF)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	F(CC[6a]FF)	112.0507	0.826	3	112.0507	0.682	3	112.1425	0.556	6	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	F(CC[6a]FF)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	F(CC[6a]FF)	112.2343	0.826	3	112.2343	0.683	3	112.1425	0.556	6	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(F)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6,6a]C[6a])(F)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CF3){1|C<4>,2|H<1>,3|C<3>}	F(CC[6a]FF)	112.6300	0.387	6	112.6300	0.150	6	112.5740	0.177	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(F)3	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6,6a]C[6a])(F)3	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(CF3){1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	F(CC[6a]FF)	112.4620	0.551	3	112.4620	0.304	3	112.5740	0.177	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	F(CC[6a]FF)	112.2217	0.606	12	112.2304	0.919	18	112.1786	0.719	32	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<4>,2|O<1>}	F(CC[6a]FF)	112.2478	1.522	6	112.2304	0.919	18	112.1786	0.719	32	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	F(CC[6a]FF)	112.0998	0.734	11	112.0998	0.538	11	112.1786	0.719	32	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6,6a]C[6a])(F)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3){3|C<3>}	F(CC[6a]FF)	112.1563	0.760	3	112.1563	0.578	3	112.1786	0.719	32	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6,6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CF3){2|H<1>,5|C<3>}	F(CC[6a]FF)	113.1473	0.753	3	113.1473	0.567	3	113.1473	0.567	3	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]2)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CF3){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	F(CC[6a]FF)	112.3187	1.007	15	112.7390	1.311	27	112.7390	1.311	27	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]2)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CF3){2|H<1>,5|C<3>}	F(CC[6a]FF)	113.2643	1.125	12	112.7390	1.311	27	112.7390	1.311	27	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CF3){1|N<3>,1|O<1>,3|C<3>}	F(CC[6a]FF)	111.9710	2.017	3	111.9710	4.068	3	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(CF3){4|C<3>}	F(CC[6a]FF)	111.4755	0.614	6	111.4755	0.377	6	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	F(CC[6a]FF)	112.4927	0.913	3	112.6087	1.953	15	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	F(CC[6a]FF)	112.6377	1.526	12	112.6087	1.953	15	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CF3){1|C<4>,4|C<3>}	F(CC[6a]FF)	112.6638	1.397	6	112.7202	1.118	12	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,3|C<3>}	F(CC[6a]FF)	112.7765	0.707	6	112.7202	1.118	12	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CF3){5|C<3>}	F(CC[6a]FF)	112.4433	2.270	3	112.4433	5.153	3	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(CF3){5|C<3>}	F(CC[6a]FF)	112.3317	0.814	3	112.3317	0.663	3	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|Se<2>,1|H<1>,3|C<3>}	F(CC[6a]FF)	112.7610	0.314	3	112.7610	0.099	3	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(CF3){1|H<1>,1|N<2>,3|C<3>}	F(CC[6a]FF)	112.4760	2.672	3	112.4760	7.138	3	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	F(CC[6a]FF)	111.8997	0.765	18	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	F(CC[6a]FF)	112.1267	1.311	3	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	F(CC[6a]FF)	112.2430	0.510	35	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<2>,3|C<3>}	F(CC[6a]FF)	112.5435	0.263	6	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6a]FF)	112.6890	0.920	3	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	F(CC[6a]FF)	112.1422	0.707	27	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|N<2>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.1658	1.174	6	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	F(CC[6a]FF)	112.6281	0.466	9	112.2140	0.479	107	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,1|O<2>,3|C<3>}	F(CC[6a]FF)	112.7357	2.196	3	112.5100	0.653	117	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	F(CC[6a]FF)	112.5009	0.771	108	112.5100	0.653	117	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	F(CC[6a]FF)	112.5600	0.689	6	112.5100	0.653	117	112.3792	0.794	272	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	F(CC[6a]FF)	112.6142	0.668	12	112.6142	0.447	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.7753	1.145	24	112.7753	1.311	24	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.9903	0.329	6	112.9903	0.108	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]S)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]S)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.8900	3.137	3	112.8900	9.843	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CF3){1|C<4>,1|H<1>,5|C<3>}	F(CC[6a]FF)	113.3730	1.397	3	113.3730	1.952	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.9313	0.391	6	112.4564	0.940	35	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.5175	1.083	14	112.4564	0.940	35	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|S<2>}	F(CC[6a]FF)	112.2087	1.071	6	112.4564	0.940	35	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	112.2100	0.993	9	112.4564	0.940	35	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]H)(CF3){3|C<3>}	F(CC[6a]FF)	113.0073	0.237	3	113.0073	0.056	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]FF)	112.8410	0.789	12	112.9610	2.458	36	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	113.0307	1.977	21	112.9610	2.458	36	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CF3){1|H<1>,2|N<3>}	F(CC[6a]FF)	112.9530	0.586	3	112.9610	2.458	36	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	F(CC[6a]FF)	112.8251	0.918	12	112.8347	0.736	27	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	F(CC[6a]FF)	112.7943	0.800	3	112.8347	0.736	27	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	F(CC[6a]FF)	112.8060	1.014	3	112.8347	0.736	27	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.8673	1.026	3	112.8347	0.736	27	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CF3){1|S<2>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.8722	0.940	6	112.8347	0.736	27	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,3|H<1>}	F(CC[6a]FF)	113.0580	0.469	6	113.0580	0.220	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.8921	0.571	12	112.5245	1.266	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|S<2>}	F(CC[6a]FF)	112.1327	0.528	6	112.5245	1.266	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.8514	1.070	36	112.5245	1.266	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|S<2>}	F(CC[6a]FF)	111.6389	1.313	21	112.5245	1.266	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	112.8428	0.790	15	112.5245	1.266	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.0657	0.738	3	112.0657	0.544	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|O<2>}	F(CC[6a]FF)	112.4357	0.571	3	112.4357	0.327	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CF3){4|C<3>}	F(CC[6a]FF)	113.4767	1.549	12	113.4767	2.401	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CF3){1|C<3>,1|F<1>,1|N<2>}	F(CC[6a]FF)	112.5883	2.197	3	112.5883	4.826	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(CF3){3|C<3>}	F(CC[6a]FF)	112.7750	0.559	3	112.7750	0.313	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	112.4182	0.594	6	112.4182	0.352	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|Br<1>,1|C<3>,1|N<2>}	F(CC[6a]FF)	112.0120	1.083	6	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]FF)	113.3128	0.504	9	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	113.1193	0.414	3	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]FF)	112.4013	0.906	3	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.4980	0.530	6	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|Cl<1>,2|C<3>}	F(CC[6a]FF)	111.2066	0.723	9	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	113.3866	1.153	29	112.8078	1.452	65	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CF3){2|C<3>}	F(CC[6a]FF)	113.0180	0.556	3	113.0180	0.309	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CF3){1|H<1>,1|O<2>,3|C<3>}	F(CC[6a]FF)	112.1318	1.232	6	112.1318	1.518	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|C<2>,1|H<1>,3|C<3>}	F(CC[6a]FF)	112.7270	0.996	9	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>,2|N<2>}	F(CC[6a]FF)	112.9655	1.069	6	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	F(CC[6a]FF)	112.2361	1.092	9	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|C<4>,1|N<3>,3|C<3>}	F(CC[6a]FF)	113.0763	1.331	12	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	F(CC[6a]FF)	112.8670	1.041	3	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){1|H<1>,1|O<2>,3|C<3>}	F(CC[6a]FF)	112.4483	0.790	3	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	F(CC[6a]FF)	112.8314	0.871	15	112.7683	1.090	57	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.4026	0.417	17	112.4026	0.174	17	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.7888	1.028	26	112.5587	1.866	122	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.3676	1.621	69	112.5587	1.866	122	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.8254	0.757	27	112.5587	1.866	122	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	F(CC[6a]FF)	112.1173	0.820	3	112.1173	0.673	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){1|N<3>,2|H<1>,3|C<3>}	F(CC[6a]FF)	112.9927	4.530	3	112.5855	2.115	32	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<3>,3|C<4>}	F(CC[6a]FF)	112.5771	1.140	17	112.5855	2.115	32	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	F(CC[6a]FF)	112.4955	0.534	12	112.5855	2.115	32	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3){1|N<3>,2|H<1>,3|C<3>}	F(CC[6a]FF)	112.8423	0.238	3	112.4293	0.249	9	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	F(CC[6a]FF)	112.2228	0.471	6	112.4293	0.249	9	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.1836	0.771	14	112.1836	0.594	14	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	111.5467	1.010	6	111.5467	1.021	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.3853	0.703	50	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,1|F<1>,1|H<1>}	F(CC[6a]FF)	112.6402	0.607	18	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.4036	0.638	57	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.1643	0.696	12	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.8691	0.816	223	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<4>,1|N<3>,1|O<1>}	F(CC[6a]FF)	111.8270	1.034	3	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|Cl<1>,1|C<3>,1|N<3>}	F(CC[6a]FF)	112.5760	0.441	3	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.8893	0.783	12	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){3|C<3>}	F(CC[6a]FF)	112.4288	0.387	6	112.6876	0.625	384	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.2030	1.176	5	112.2030	1.382	5	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CF3){2|C<3>}	F(CC[6a]FF)	112.3070	1.724	3	112.3070	2.972	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3){1|C<2>,1|C<3>,1|F<1>}	F(CC[6a]FF)	111.5667	3.247	3	111.7556	4.778	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3){1|C<3>,1|C<4>,1|O<2>}	F(CC[6a]FF)	111.5892	2.143	6	111.7556	4.778	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.0333	3.590	3	111.7556	4.778	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	111.2630	1.947	3	111.7556	4.778	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C)2(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	112.4923	0.696	3	111.7556	4.778	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CF3){1|Li<4>,1|C<3>,1|C<4>,1|O<3>,2|H<1>}	F(CC[6a]FF)	113.5143	0.451	3	113.5143	0.203	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	F(CC[6a]FF)	112.7270	0.347	6	112.8389	0.144	9	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,3|H<1>}	F(CC[6a]FF)	113.0627	0.402	3	112.8389	0.144	9	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	F(CC[6a]FF)	112.7493	0.272	3	112.4847	1.427	31	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,2|N<2>}	F(CC[6a]FF)	112.1774	1.344	18	112.4847	1.427	31	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>,2|N<2>}	F(CC[6a]FF)	113.1103	1.810	3	112.4847	1.427	31	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,3|H<1>}	F(CC[6a]FF)	112.9980	0.023	4	112.4847	1.427	31	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|Se<2>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.7540	0.712	3	112.4847	1.427	31	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	F(CC[6a]FF)	112.9233	1.810	3	112.5748	1.095	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	F(CC[6a]FF)	112.4198	0.936	12	112.5748	1.095	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	F(CC[6a]FF)	112.1583	0.912	15	112.5748	1.095	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	F(CC[6a]FF)	112.9810	0.365	6	112.5748	1.095	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|N<3>,3|C<3>}	F(CC[6a]FF)	114.1160	0.929	3	112.5748	1.095	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]FF)	112.5147	0.591	9	112.5551	0.673	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.7927	0.804	24	112.5551	0.673	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,2|N<3>}	F(CC[6a]FF)	111.6497	0.624	3	112.5551	0.673	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|H<1>,2|N<2>}	F(CC[6a]FF)	111.6807	0.708	3	112.5551	0.673	39	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.5936	0.780	5	112.3053	0.580	112	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]FF)	112.3634	0.164	5	112.3053	0.580	112	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.4565	1.002	6	112.3053	0.580	112	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.2822	0.770	93	112.3053	0.580	112	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CF3){1|C<3>,2|N<3>}	F(CC[6a]FF)	112.1440	0.882	3	112.3053	0.580	112	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)2(CF3){1|C<3>,2|F<1>}	F(CC[6a]FF)	112.1778	1.205	81	112.3332	2.018	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]F)2(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	113.7323	2.340	9	112.3332	2.018	90	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.3972	1.255	6	112.3499	1.189	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.3027	1.018	6	112.3499	1.189	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.1568	0.985	6	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|C<4>,1|I<1>}	F(CC[6a]FF)	112.3109	1.070	18	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|F<1>,1|H<1>}	F(CC[6a]FF)	112.5619	0.796	33	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.2130	0.931	29	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]FF)	112.6622	0.963	12	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|S<4>}	F(CC[6a]FF)	112.7590	0.531	3	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.8033	0.776	110	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|Cl<1>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.5833	0.633	3	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	112.4500	0.896	6	112.6105	0.739	220	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	113.3346	0.926	18	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	112.8823	0.427	6	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.2303	0.643	3	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|C<3>,2|N<3>}	F(CC[6a]FF)	112.3563	0.356	3	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|H<1>,1|N<3>,1|O<1>}	F(CC[6a]FF)	112.0413	0.942	3	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	113.1710	0.683	3	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|Ir<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	113.3800	1.024	6	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CF3){1|Ir<5>,1|C<3>,1|C<4>}	F(CC[6a]FF)	112.3320	2.150	6	112.9372	1.254	48	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.4656	0.570	11	112.5780	1.044	132	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.2176	1.409	18	112.5780	1.044	132	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.6529	0.974	103	112.5780	1.044	132	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CF3){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]FF)	112.4747	1.600	6	112.9510	3.136	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	113.1892	1.870	12	112.9510	3.136	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CF3){1|C<3>,1|H<1>}	F(CC[6a]FF)	112.4707	1.954	3	112.4707	3.820	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|F<1>}	F(CC[6a]FF)	111.9813	0.237	3	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	F(CC[6a]FF)	112.3598	0.826	21	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|O<2>}	F(CC[6a]FF)	112.5912	0.313	6	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.9300	0.442	3	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>}	F(CC[6a]FF)	112.1817	0.429	9	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|F<1>,2|C<3>}	F(CC[6a]FF)	112.2030	0.449	3	112.3573	0.423	45	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Au<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	111.8263	1.410	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<3>,1|C<3>,1|C<4>}	F(CC[6a]FF)	112.8145	1.012	60	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<3>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.1765	1.336	27	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	113.0237	1.349	4113	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<4>,1|C<3>,1|C<7>}	F(CC[6a]FF)	114.6067	1.157	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<4>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.6390	0.722	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|B<4>,2|C<3>}	F(CC[6a]FF)	111.9183	3.161	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<2>,1|C<3>,1|C<4>}	F(CC[6a]FF)	113.4811	2.209	11	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<2>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.4985	0.547	15	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.5664	0.739	93	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|I<2>}	F(CC[6a]FF)	112.0145	1.015	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|N<2>}	F(CC[6a]FF)	112.5629	0.900	24	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	F(CC[6a]FF)	112.6985	1.102	396	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|N<4>}	F(CC[6a]FF)	112.4942	0.808	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|P<3>}	F(CC[6a]FF)	112.5892	1.024	21	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|P<4>}	F(CC[6a]FF)	112.8396	2.333	81	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|P<5>}	F(CC[6a]FF)	111.8640	0.748	5	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|C<4>,1|S<4>}	F(CC[6a]FF)	112.8361	1.443	18	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]FF)	113.4019	0.954	18	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]FF)	113.2008	1.235	172	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|N<4>}	F(CC[6a]FF)	112.8062	0.425	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]FF)	112.4100	0.449	9	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|P<3>}	F(CC[6a]FF)	112.3642	0.677	17	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|P<4>}	F(CC[6a]FF)	112.7278	0.981	24	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|P<5>}	F(CC[6a]FF)	113.1670	0.604	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,1|H<1>,1|S<4>}	F(CC[6a]FF)	112.2830	0.635	9	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,2|B<3>}	F(CC[6a]FF)	112.8727	1.279	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.5519	1.081	238	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	113.0406	1.359	1900	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<3>,2|N<3>}	F(CC[6a]FF)	113.4767	1.872	15	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<4>,1|N<3>,1|O<1>}	F(CC[6a]FF)	112.4063	0.693	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.8226	1.241	427	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Cl<1>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.8422	0.808	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|F<1>,2|C<3>}	F(CC[6a]FF)	112.6433	1.190	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ge<4>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.3015	0.820	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|H<1>,1|N<2>,1|P<4>}	F(CC[6a]FF)	111.9877	0.638	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|H<1>,2|C<3>}	F(CC[6a]FF)	113.0272	1.143	179	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|H<1>,2|N<2>}	F(CC[6a]FF)	112.7967	0.398	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ir<6>,1|C<3>,1|C<4>}	F(CC[6a]FF)	113.8886	1.268	14	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.9089	2.074	47	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ir<7>,1|C<3>,1|H<1>}	F(CC[6a]FF)	114.9938	2.017	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ir<8>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.7452	2.071	12	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|N<2>,2|C<3>}	F(CC[6a]FF)	113.3697	0.305	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|N<3>,2|C<3>}	F(CC[6a]FF)	111.9350	0.695	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Pd<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	112.7272	0.469	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Pd<4>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.5372	0.700	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Pt<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	113.2812	1.608	11	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Pt<4>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.2291	0.946	15	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Pt<6>,1|C<3>,1|C<4>}	F(CC[6a]FF)	112.9919	1.191	9	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Rh<8>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.4235	0.751	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Ru<9>,1|C<3>,1|H<1>}	F(CC[6a]FF)	112.5587	0.514	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Se<2>,1|C<3>,1|H<1>}	F(CC[6a]FF)	113.7328	1.539	6	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){1|Si<4>,1|C<3>,1|C<4>}	F(CC[6a]FF)	112.2492	0.792	23	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){2|Cl<1>,1|C<3>}	F(CC[6a]FF)	113.2945	1.713	105	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(CF3){3|C<3>}	F(CC[6a]FF)	112.7940	0.593	3	112.9854	1.798	8219	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CF3){1|C<3>,1|N<2>,1|N<3>}	F(CC[6a]FF)	112.6153	1.932	3	112.9217	0.934	56	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.9390	0.916	53	112.9217	0.934	56	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	F(CC[6a]FF)	115.9450	3.015	3	113.2824	4.709	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|N<2>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.7160	0.950	3	113.2824	4.709	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.2343	0.774	6	113.2824	4.709	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	F(CC[6a]FF)	112.5133	0.850	3	112.6645	0.401	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|C<3>,2|N<2>,2|N<3>}	F(CC[6a]FF)	112.6162	0.628	9	112.6645	0.401	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	F(CC[6a]FF)	112.8557	0.988	3	112.6645	0.401	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,2|C<3>,2|H<1>}	F(CC[6a]FF)	112.7693	0.146	3	112.6645	0.401	18	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	F(CC[6a]FF)	112.7902	1.349	6	112.7902	1.819	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]O)2(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]O)2(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	113.3633	1.794	3	113.3633	3.219	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	113.4150	0.014	2	112.6295	1.699	14	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	F(CC[6a]FF)	112.4986	1.370	12	112.6295	1.699	14	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.2906	0.676	18	112.3883	0.404	24	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	F(CC[6a]FF)	112.6813	0.410	6	112.3883	0.404	24	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	113.9033	2.804	3	113.9033	7.862	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CF3){1|Cl<1>,2|C<3>}	F(CC[6a]FF)	112.3477	0.448	6	112.3477	0.201	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CF3){1|Cl<1>,2|C<3>}	F(CC[6a]FF)	112.4413	0.461	3	112.4413	0.213	3	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3){1|C<3>}	F(CC[6a]FF)	112.6708	1.302	12	112.6708	1.695	12	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]FF)	112.5730	0.319	3	112.3962	0.148	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]2)(F)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CF3){1|C<3>,2|H<1>}	F(CC[6a]FF)	112.2193	0.418	3	112.3962	0.148	6	112.9123	1.693	10202	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<1>}	F(CC[6a]FF)	111.9420	0.567	3	111.9420	0.321	3	111.9477	1.080	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3){1|N<3>,2|O<1>}	F(CC[6a]FF)	112.3133	1.398	3	112.3133	1.955	3	111.9477	1.080	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3){1|N<3>,2|O<1>}	F(CC[6a]FF)	111.5877	1.284	3	111.5877	1.649	3	111.9477	1.080	9	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]N[5a,6a]C[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3){5|C<3>}	F(CC[6a]FF)	112.6497	0.955	3	112.6497	0.912	3	111.9341	0.927	21	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]N[5a,6a]C[6a])(F)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	F(CC[6a]FF)	111.8148	0.937	18	111.8148	0.878	18	111.9341	0.927	21	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	F(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|O<1>,4|C<3>}	F(CC[6a]FF)	112.4613	0.766	3	112.4613	0.587	3	112.4613	0.587	3	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CFFH)	F(CC[6a]FH)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CFFH){4|C<3>}	F(CC[6a]FH)	111.2125	0.644	4	111.2125	0.415	4	110.7770	0.860	10	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH)	F(CC[6a]FH)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH){1|C<3>,2|H<1>}	F(CC[6a]FH)	110.0450	0.939	2	110.0450	0.882	2	110.7770	0.860	10	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)2(CFFH)	F(CC[6a]FH)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)2(CFFH){1|C<3>,2|H<1>}	F(CC[6a]FH)	110.7075	1.120	4	110.7075	1.254	4	110.7770	0.860	10	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CFHH)	F(CC[6a]HH)	C(C[6a]C[6a]2)(F)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CFHH){1|C<3>,2|C<4>}	F(CC[6a]HH)	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	112.8903	1.674	10612	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	2:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(F)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]N[6a])(COO)(F)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]CH)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.1370	0.582	7	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	F(CC[6a]2F)	108.0335	1.224	2	108.0335	1.498	2	108.0712	0.662	6	108.1370	0.582	7	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	F(CC[6a]2F)	108.0900	0.776	4	108.0900	0.603	4	108.0712	0.662	6	108.1370	0.582	7	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(COO)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]N[6a])(COO)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF){1|H<1>,4|C<3>}	F(CC[6a]CF)	110.7170	0.462	4	110.7170	0.213	4	110.7170	0.213	4	109.4089	2.627	8	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF){1|H<1>,4|C<3>}	F(CC[6a]2F)	107.8770	1.960	2	107.8770	3.842	2	107.8770	3.842	2	109.4089	2.627	8	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF){1|H<1>,2|C<3>}	F(CC[6a]2F)	108.3245	0.120	2	108.3245	0.014	2	108.3245	0.014	2	109.4089	2.627	8	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF){1|H<1>,1|N<3>,3|C<3>}	F(CC[6a]CF)	110.0405	1.348	2	110.0405	1.818	2	110.3533	1.003	4	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	F(CC[6a]CF)	110.6660	0.894	2	110.6660	0.799	2	110.3533	1.003	4	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHN)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CHN)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	110.4745	0.284	2	110.4745	0.080	2	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CNO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.9810	0.243	4	109.9810	0.059	4	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(F)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CN[6]O)(F)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFF){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]CF)	109.9680	0.228	2	109.9680	0.052	2	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]CF)	110.7495	0.544	2	110.1016	1.119	20	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,1|C<4>,1|I<1>}	F(CC[6a]CF)	109.9753	0.725	8	110.1016	1.119	20	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(COO)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	110.0731	1.346	10	110.1016	1.119	20	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPdO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CPdO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.4718	0.854	4	109.4718	0.730	4	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CRuF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	110.2905	0.419	2	110.2905	0.176	2	110.0385	0.782	34	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.4070	0.455	2	109.4070	0.207	2	109.5740	0.571	7	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.0235	1.172	2	109.0235	1.373	2	109.5740	0.571	7	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.6230	0.000	1	109.6230	0.000	1	109.5740	0.571	7	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	110.5990	0.000	1	110.5990	0.000	1	109.5740	0.571	7	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.9350	0.000	1	109.9350	0.000	1	109.5740	0.571	7	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FF){2|H<1>,3|C<3>}	F(CC[6a]2F)	110.0675	0.621	4	110.0675	0.386	4	110.0675	0.386	4	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|H<1>,2|C<3>}	F(CC[6a]2F)	108.6338	1.504	4	108.6338	2.261	4	109.6620	1.552	14	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	F(CC[6a]2F)	109.1430	0.206	2	109.1430	0.043	2	109.6620	1.552	14	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	F(CC[6a]2F)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	F(CC[6a]2F)	110.3059	0.867	8	110.3059	0.752	8	109.6620	1.552	14	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF)	F(CC[6a]N[6]F)	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF){1|C<3>,2|H<1>}	F(CC[6a]N[6]F)	111.9708	1.926	6	111.9708	3.708	6	111.9708	3.708	6	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SN[6]O)(F)2	C[6a](C[6a]C[6a]H)2(CFFS)	F(CC[6a]FS)	C(C[6a]C[6a]2)(SN[6]O)(F)2	C[6a](C[6a]C[6a]H)2(CFFS){1|C<3>,2|H<1>}	F(CC[6a]FS)	112.4550	0.390	2	112.4550	0.152	2	112.4550	0.152	2	110.1692	1.558	71	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(CN)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(COO)(CN)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]2F)	F(CC[6a]C[6]2)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]2F){1|C<3>,2|H<1>}	F(CC[6a]C[6]2)	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	109.7550	5.397	4	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.7550	5.397	4	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	F(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN){1|C<3>,2|H<1>}	F(CC[6a]CN)	111.5385	0.828	2	111.5385	0.686	2	111.5385	0.686	2	109.7550	5.397	4	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP)	F(CC[6a]2P)	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP){1|H<1>,4|C<3>}	F(CC[6a]2P)	108.2605	0.453	2	108.2605	0.205	2	106.3880	5.977	4	106.3880	5.977	4	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a]F)2(CC[6a]FP)	F(CC[6a]2P)	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a]F)2(CC[6a]FP){1|C<3>,2|F<1>}	F(CC[6a]2P)	104.5155	1.924	2	104.5155	3.702	2	106.3880	5.977	4	106.3880	5.977	4	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF)	F(CC[6a]CF)	C(C[6a]N[6a]2)(CCFF)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	F(CC[6a]CF)	110.4161	0.607	22	110.4161	0.368	22	110.4564	0.321	26	110.4564	0.321	26	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:F-1:F-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CF3)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF)	F(CC[6a]CF)	C(C[6a]N[6a]2)(CF3)(F)2	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	F(CC[6a]CF)	110.6778	0.152	4	110.6778	0.023	4	110.4564	0.321	26	110.4564	0.321	26	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCFF)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]N[6a])(CCFF)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	F(CC[6a]CF)	111.2420	0.877	2	111.2420	0.769	2	111.2420	0.769	2	111.2420	0.769	2	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF)	F(CC[6a]CF)	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	F(CC[6a]CF)	110.8010	0.659	2	110.8010	0.434	2	110.8010	0.434	2	110.8010	0.434	2	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6,6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCFF){1|C<2>,2|H<1>,4|C<3>}	F(CC[6a]CF)	110.9470	0.027	2	110.9470	0.001	2	110.9470	0.001	2	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCFF){1|C<4>,1|H<1>,3|C<3>}	F(CC[6a]CF)	111.2527	1.745	4	111.1792	2.400	6	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	F(CC[6a]CF)	111.0320	1.674	2	111.1792	2.400	6	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CCFF){5|C<3>}	F(CC[6a]CF)	111.9085	0.556	2	111.9085	0.310	2	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(CCFF){5|C<3>}	F(CC[6a]CF)	111.2325	2.838	2	111.2325	8.052	2	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCFF){1|N<2>,2|C<3>,2|H<1>}	F(CC[6a]CF)	111.6485	2.708	2	111.6485	7.331	2	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]FF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a,6a]C[6a])(CC[6a]FF)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	F(CC[6a]CF)	111.5275	1.513	2	111.5275	2.288	2	111.4078	2.385	14	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCFF){1|C<3>,1|H<1>,1|S<2>}	F(CC[6a]CF)	109.8660	0.212	2	109.8660	0.045	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCFF){1|H<1>,2|C<3>}	F(CC[6a]CF)	111.0090	0.445	2	111.0090	0.198	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCFF){2|C<3>}	F(CC[6a]CF)	110.6953	0.774	4	110.6953	0.600	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFF){1|C<3>,1|C<4>,1|H<1>}	F(CC[6a]CF)	110.9335	2.399	4	110.9335	5.757	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	111.1790	2.309	2	111.1790	5.333	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCFF){1|C<3>,1|H<1>,1|O<2>}	F(CC[6a]CF)	112.0675	2.268	2	112.0675	5.142	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	111.0152	1.311	10	111.0152	1.720	10	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,1|H<1>,1|N<2>}	F(CC[6a]CF)	110.5580	0.994	2	110.7943	0.261	17	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	110.8258	0.468	15	110.7943	0.261	17	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]O)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCFF)(F)2	C[6a](C[6a]C[6a]O)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	112.3868	0.529	8	112.3868	0.280	8	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCFF){1|C<4>,4|C<3>}	F(CC[6a]CF)	108.3895	1.675	2	108.6257	2.023	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCFF){5|C<3>}	F(CC[6a]CF)	108.8620	1.744	2	108.6257	2.023	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCHH)(F)2	C[6a](C[6a]C[6a]2)2(CCFF){1|C<4>,6|C<3>}	F(CC[6a]CF)	107.0435	0.136	2	107.0435	0.019	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCOO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]CF)	109.5395	0.518	2	109.5023	0.101	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCOO)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.4650	0.174	2	109.5023	0.101	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CC[5]HN)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.9730	1.075	2	109.9730	1.155	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	F(CC[6a]CF)	112.2590	3.479	4	112.2590	12.102	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]F)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]F)2(CCFF){1|C<3>,2|F<1>}	F(CC[6a]CF)	110.8638	0.550	10	110.8638	0.303	10	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]FF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|H<1>,2|C<3>}	F(CC[6a]CF)	112.0230	1.292	4	112.0230	1.670	4	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCuFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CCuFF)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.5265	0.501	2	109.5265	0.251	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(F)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CF3)(F)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CCFF){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>}	F(CC[6a]CF)	111.6155	0.197	2	111.6155	0.039	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CF3)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCFF){1|H<1>,2|C<3>}	F(CC[6a]CF)	110.9960	0.523	2	110.9960	0.274	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFS)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CFFS)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	110.5765	0.308	2	110.5765	0.095	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	C[6a](C[6a]C[6a]H)2(CCFF)	F(CC[6a]CF)	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	C[6a](C[6a]C[6a]H)2(CCFF){1|C<3>,2|H<1>}	F(CC[6a]CF)	109.1420	0.508	2	109.1420	0.258	2	110.8080	2.333	91	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.2270	0.000	1	108.2270	0.000	1	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	110.6490	0.000	1	110.6490	0.000	1	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.5127	0.816	3	109.5127	0.667	3	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,1|F<1>,1|H<1>}	F(CC[6a]CH)	108.5290	1.223	2	108.6151	0.423	9	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.6397	0.558	7	108.6151	0.423	9	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.5610	0.000	1	109.5610	0.000	1	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.6670	0.000	1	108.6670	0.000	1	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	109.3808	1.062	4	109.3808	1.128	4	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.9470	0.157	2	108.9470	0.025	2	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	110.0960	0.000	1	110.0960	0.000	1	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.7550	0.253	2	108.7550	0.064	2	109.0480	0.663	25	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP)	F(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP){1|C<3>,2|H<1>}	F(CC[6a]HP)	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHS)	F(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]OO)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHS){1|C<3>,2|H<1>}	F(CC[6a]HS)	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	110.5463	2.520	134	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C[6a](C[6a]C[6a]H)2(CCFO)	F(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C[6a](C[6a]C[6a]H)2(CCFO){1|C<3>,2|H<1>}	F(CC[6a]CO)	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	106.6310	0.000	1	106.6310	0.000	1	107.6498	1.673	6	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	108.0795	0.593	2	108.0795	0.352	2	107.6498	1.673	6	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	108.7515	0.054	2	108.7515	0.003	2	107.6498	1.673	6	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	105.6060	0.000	1	105.6060	0.000	1	107.6498	1.673	6	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	F(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN){1|C<3>,2|H<1>}	F(CC[6a]CN)	109.7080	0.000	1	109.7080	0.000	1	110.1357	0.393	3	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	F(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN){1|C<3>,2|H<1>}	F(CC[6a]CN)	110.3495	0.715	2	110.3495	0.511	2	110.1357	0.393	3	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCFP)	F(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCFP){1|C<3>,2|H<1>}	F(CC[6a]CP)	109.1420	0.460	7	109.1420	0.211	7	109.1420	0.211	7	108.7687	1.634	16	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	107.5140	0.000	1	107.5140	0.000	1	108.4209	1.649	9	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	107.2870	0.919	2	107.2870	0.845	2	108.4209	1.649	9	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]C)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]C)2(CCCF){1|C<3>,2|C<4>}	F(CC[6a]CC)	109.0200	0.000	1	109.0200	0.000	1	108.4209	1.649	9	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]F)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]F)2(CCCF){1|N<2>,2|O<2>}	F(CC[6a]CC)	109.8420	0.503	3	109.8420	0.253	3	108.4209	1.649	9	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	F(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	F(CC[6a]CC)	107.5770	0.779	2	107.5770	0.607	2	108.4209	1.649	9	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:S-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	C[6a](C[6a]C[6a]H)2(CCFS)	F(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	C[6a](C[6a]C[6a]H)2(CCFS){1|C<3>,2|H<1>}	F(CC[6a]CS)	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CC[6]CF)	F(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CC[6]CF){1|C<3>,2|H<1>}	F(CC[6a]C[6]C)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:S-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)2(F)	C[6a](C[6a]C[6a]H)2(CFSS)	F(CC[6a]SS)	C(C[6a]C[6a]2)(SC[6a]OO)2(F)	C[6a](C[6a]C[6a]H)2(CFSS){1|C<3>,2|H<1>}	F(CC[6a]SS)	110.9360	0.000	2	110.9360	0.000	2	110.9360	0.000	2	108.9324	2.110	13	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	F(CC[6a]CH)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	F(CC[6a]CH)	108.0395	0.513	2	108.0395	0.263	2	108.0395	0.263	2	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[3]FH)	F(CC[6a]C[3]H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[3]FH){1|C<3>,2|H<1>}	F(CC[6a]C[3]H)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH)	F(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH){1|C<3>,2|H<1>}	F(CC[6a]C[5]H)	109.4700	0.000	1	109.4700	0.000	1	109.5370	0.009	2	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH)	F(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH){1|C<3>,1|H<1>,1|N<3>}	F(CC[6a]C[5]H)	109.6040	0.000	1	109.6040	0.000	1	109.5370	0.009	2	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CP[5]FH)	F(CC[6a]P[5]H)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CP[5]FH){1|H<1>,2|C<3>}	F(CC[6a]P[5]H)	111.1560	0.000	1	111.1560	0.000	1	110.5234	0.516	5	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH)	F(CC[6a]P[5]H)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH){1|C<3>,2|H<1>}	F(CC[6a]P[5]H)	110.4975	0.957	2	110.3653	0.521	4	110.5234	0.516	5	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH)	F(CC[6a]P[5]H)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH){1|H<1>,2|C<3>}	F(CC[6a]P[5]H)	110.2330	0.761	2	110.3653	0.521	4	110.5234	0.516	5	109.6089	1.458	10	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	F(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	F(CC[6a]2C[5])	107.4055	0.716	2	107.4055	0.513	2	107.0812	0.369	8	107.0812	0.369	8	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	F(CC[6a]2C[5])	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	F(CC[6a]2C[5])	106.9732	0.598	6	106.9732	0.357	6	107.0812	0.369	8	107.0812	0.369	8	112.7905	1.929	11330	112.7905	1.929	11330
490	643	830	0:SP3_SP-NON_SP2	C	C[6a]	F	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CC[5]CF)	F(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[6a](C[6a]C[6a]H)2(CC[5]CF){1|C<3>,2|H<1>}	F(CC[6a]C[5]C)	108.1590	0.187	3	108.1590	0.035	3	108.1590	0.035	3	108.1590	0.035	3	112.7905	1.929	11330	112.7905	1.929	11330
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[3x6]	4:3:3:3:	4:3:3:	3:3:3:4:	P[3x6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C(P[3x6]C[6,6,6a]3)(C[6a]C[6a]2)3	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3)	C(P[3x6]C[6,6,6a]3)(C[6a]C[6a]2)3	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3){1|C<4>,3|H<1>,6|C<3>}	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6,6]	4:3:1:1:	3:3:4:	4:4:4:4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[6,6]HH)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[6,6]HH){1|C<3>,2|H<1>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2{2|C<4>,4|H<1>}	117.1185	2.402	2	117.1185	5.770	2	117.1185	5.770	2	117.1185	5.770	2	117.1185	5.770	2	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	3:4:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[5a,6a]-3:C-4:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	111.9000	1.839	2	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	3:4:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H)	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	111.9000	1.839	2	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	4:3:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	108.2030	0.000	1	108.2030	0.000	1	112.6320	6.106	6	112.6320	6.106	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	4:3:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	113.5660	0.000	1	113.5660	0.000	1	112.6320	6.106	6	112.6320	6.106	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	4:3:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2{3|C<3>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	112.0060	0.000	1	112.0060	0.000	1	112.6320	6.106	6	112.6320	6.106	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:1:	4:3:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	P[6](CC[6a]2H)(O[6]C[6])2(O)	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	114.0057	1.413	3	114.0057	1.996	3	112.6320	6.106	6	112.6320	6.106	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:3:	2:4:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:C-3:	N[6a]-2:C-4:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H)	P[6](CC[6a]2C)(O[6]C[6])2(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	P[6](CC[6a]2C)(O[6]C[6])2(O){1|C<4>,4|H<1>}	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:3:4:3:	4:3:3:	4:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:C-3:	C-4:C[6a]-3:C[6a]-3:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](CC[6a]P[6]C)(C[6a]C[6a]H)2	P[6](CC[6a]2C)(O[6]C[6])2(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](CC[6a]P[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P[6](CC[6a]2C)(O[6]C[6])2(O){1|C<4>,4|H<1>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:1:1:	3:2:4:	4:2:2:1:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	P[6](CC[6a]HH)(O[6]C[6])2(O)	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	P[6](CC[6a]HH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HH)	P[6](CC[6a]HH)(O[6]C[6])2(O)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HH){2|H<1>,5|C<3>}	P[6](CC[6a]HH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	115.9370	3.842	2	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CP[6]HH)	P[6](CC[6a]HH)(O[6]C[6])2(O)	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CP[6]HH){1|H<1>,3|C<3>}	P[6](CC[6a]HH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	115.9370	3.842	2	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CP[6]HH)	P[6](C[6]C[6]HH)2(CC[6a]HH)2	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CP[6]HH){1|C<3>,2|H<1>}	P[6](C[6]C[6]HH)2(CC[6a]HH)2{1|P<4>,4|H<1>}	115.0940	0.068	2	115.0940	0.005	2	115.0940	0.005	2	115.0940	0.005	2	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH)	P[6](CC[6a]CH)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH){1|C<3>,2|H<1>}	P[6](CC[6a]CH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO)	P[6](CC[6a]HO)(O[6]C[6])2(O)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO){2|H<1>,5|C<3>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	P[6](CC[6a]HO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	113.0030	0.000	1	113.0030	0.000	1	112.6200	1.274	4	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	P[6](CC[6a]HO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	113.0730	0.000	1	113.0730	0.000	1	112.6200	1.274	4	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO)	P[6](CC[6a]HO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO){1|C<3>,2|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	110.9530	0.000	1	112.2020	3.120	2	112.6200	1.274	4	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO)	P[6](CC[6a]HO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO){1|C<3>,2|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	113.4510	0.000	1	112.2020	3.120	2	112.6200	1.274	4	112.5617	1.922	6	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH)	P[6](CC[6a]CH)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH){1|C<3>,2|H<1>}	P[6](CC[6a]CH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	111.1445	0.856	2	111.1445	0.733	2	111.1445	0.733	2	111.2542	0.261	4	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN)	P[6](CC[6a]HN)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN){1|C<3>,2|H<1>}	P[6](CC[6a]HN)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	111.3800	0.000	1	111.3800	0.000	1	111.3640	0.001	2	111.2542	0.261	4	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN)	P[6](CC[6a]HN)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN){1|C<3>,2|H<1>}	P[6](CC[6a]HN)(O[6]C[6])2(O){1|C<4>,4|H<1>}	111.3480	0.000	1	111.3480	0.000	1	111.3640	0.001	2	111.2542	0.261	4	112.3059	6.507	26	112.4721	8.466	29
490	643	849	0:SP3_SP2_SP3	C	C[6a]	P[6]	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:P[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CP[6]CO)	P[6](CC[6a]CO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CP[6]CO){1|C<3>,2|H<1>}	P[6](CC[6a]CO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	112.3059	6.507	26	112.4721	8.466	29
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN[3x6]HH){1|F<1>,2|C<3>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	114.3010	0.000	1	114.3010	0.000	1	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	115.7970	0.000	1	115.7970	0.000	1	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[3x6]HH){1|C<3>,2|C<4>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	116.0020	0.355	2	116.0020	0.126	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH){1|C<3>,2|F<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	114.6030	0.000	1	114.6540	0.148	5	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH){1|C<3>,2|F<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	114.2820	0.000	1	114.6540	0.148	5	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	114.7950	0.441	3	114.6540	0.148	5	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	114.3870	0.000	1	114.3870	0.000	1	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	114.8040	0.000	1	114.6585	0.042	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|H<1>,3|N<3>}	114.5130	0.000	1	114.6585	0.042	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	114.6465	0.431	2	114.6465	0.185	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	116.4900	0.542	2	116.4900	0.293	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|F<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	114.8430	1.560	3	114.6978	2.194	5	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	114.4800	1.937	2	114.6978	2.194	5	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[3x6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	115.8400	0.346	2	115.8400	0.120	2	115.0660	0.951	23	115.0660	0.951	23	115.0660	0.951	23	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	4:3:1:1:	3:2:4:	4:4:4:4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH)	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	114.1174	0.761	7	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	113.8653	1.200	3	114.0328	0.774	5	114.0328	0.774	5	114.2187	0.827	6	114.1174	0.761	7	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	114.2330	0.000	1	114.0328	0.774	5	114.0328	0.774	5	114.2187	0.827	6	114.1174	0.761	7	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	114.3350	0.000	1	114.0328	0.774	5	114.0328	0.774	5	114.2187	0.827	6	114.1174	0.761	7	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	4:3:1:1:	3:3:4:	4:4:4:4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	114.2187	0.827	6	114.1174	0.761	7	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	111.1390	0.000	1	111.1390	0.000	1	111.9336	2.669	12	111.9336	2.669	12	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	113.0700	0.000	1	112.0058	2.867	11	111.9336	2.669	12	111.9336	2.669	12	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	111.8994	1.746	10	112.0058	2.867	11	111.9336	2.669	12	111.9336	2.669	12	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>,3|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	110.9680	0.000	1	110.9680	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	111.9860	0.000	1	111.9860	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	113.8687	0.270	3	113.8687	0.073	3	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	114.7710	0.000	1	113.4321	3.500	14	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	113.2093	0.322	3	113.4321	3.500	14	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	111.8830	0.502	2	113.4321	3.500	14	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	113.7356	2.317	8	113.4321	3.500	14	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	115.0030	0.000	1	115.0030	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	114.8490	0.000	1	114.8490	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	111.4800	0.000	1	111.4800	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.6860	0.000	1	110.6860	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	113.5620	0.000	1	113.5620	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	111.6280	0.000	1	111.6280	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	113.5940	0.000	1	113.5940	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	116.6440	0.000	1	116.6440	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	112.9750	0.000	1	112.9750	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	114.2290	0.000	1	112.0990	9.074	2	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	109.9690	0.000	1	112.0990	9.074	2	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	113.3170	0.860	2	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	113.6080	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	114.8277	0.205	3	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	115.7830	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	113.9720	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	111.4133	1.000	3	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	113.3503	0.982	4	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	114.4570	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	114.7820	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	113.6630	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	115.3230	0.000	1	113.7024	1.933	19	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	113.2637	1.129	6	112.7610	2.499	11	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	112.1578	1.955	5	112.7610	2.499	11	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	112.0280	0.000	1	112.0280	0.000	1	113.2783	2.722	61	113.2783	2.722	61	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	114.5523	0.230	3	114.5523	0.053	3	115.3212	0.819	13	115.3212	0.819	13	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	114.4703	0.081	3	115.2380	1.172	6	115.3212	0.819	13	115.3212	0.819	13	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	115.8360	1.462	2	115.2380	1.172	6	115.3212	0.819	13	115.3212	0.819	13	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	116.3450	0.000	1	115.2380	1.172	6	115.3212	0.819	13	115.3212	0.819	13	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	116.0228	0.163	4	116.0228	0.027	4	115.3212	0.819	13	115.3212	0.819	13	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	111.4255	0.657	2	111.4255	0.432	2	111.4873	0.227	3	111.4873	0.227	3	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	111.6110	0.000	1	111.6110	0.000	1	111.4873	0.227	3	111.4873	0.227	3	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	4:3:1:1:	3:3:4:	4:4:4:1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5,6]-4:C[6]-4:C-4:H-1:	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	113.6587	0.252	4	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	4:3:1:1:	3:3:4:	4:4:4:1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	114.2280	0.000	1	114.2280	0.000	1	114.2280	0.000	1	113.6587	0.252	4	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	4:3:1:1:	3:3:4:	4:4:4:1:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-4:C-4:H-1:	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	113.7015	0.028	2	113.7015	0.001	2	113.7015	0.001	2	113.6587	0.252	4	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	4:3:1:1:	3:3:4:	5:4:4:4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	115.2320	2.046	2	115.2320	4.188	2	115.2320	4.188	2	115.2320	4.188	2	113.3570	3.259	96	113.7112	3.124	126
490	643	854	0:SP3_SP2_SP3	C	C[6a]	N[6]	4:3:4:1:	3:3:4:	4:4:4:1:	N[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	113.3570	3.259	96	113.7112	3.124	126
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:3:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.0650	0.000	1	113.0830	0.617	4	113.0906	0.463	5	113.0906	0.463	5	113.0906	0.463	5	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:3:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	113.2690	0.000	1	113.0830	0.617	4	113.0906	0.463	5	113.0906	0.463	5	113.0906	0.463	5	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:3:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.9650	0.000	1	113.0830	0.617	4	113.0906	0.463	5	113.0906	0.463	5	113.0906	0.463	5	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:3:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	113.0330	0.000	1	113.0830	0.617	4	113.0906	0.463	5	113.0906	0.463	5	113.0906	0.463	5	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:3:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	113.1210	0.000	1	113.1210	0.000	1	113.0906	0.463	5	113.0906	0.463	5	113.0906	0.463	5	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	113.1840	2.770	2	113.1840	7.675	2	113.1840	7.675	2	113.1840	7.675	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	113.1095	0.002	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	113.1095	0.002	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	111.8810	0.000	1	111.8810	0.000	1	114.3542	1.634	11	114.3542	1.634	11	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	114.6015	1.033	10	114.6015	1.068	10	114.3542	1.634	11	114.3542	1.634	11	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF)	N[6](C[6]C[6]H)2(CC[6a]FF)	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]FF){1|C<3>,2|H<1>}	111.9265	1.278	2	111.9265	1.633	2	111.9533	0.818	3	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF)	N[6](C[6]C[6a]C[6])2(CC[6a]FF)	C(C[6a]C[6a]2)(N[6]C[6]2)(F)2	C[6a](C[6a]C[6a]H)2(CN[6]FF){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])2(CC[6a]FF){2|H<1>,5|C<3>}	112.0070	0.000	1	112.0070	0.000	1	111.9533	0.818	3	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH){2|H<1>,5|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.9343	0.356	4	113.9343	0.127	4	113.9343	0.127	4	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6,6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	114.5950	0.000	1	114.0755	0.540	2	114.0755	0.540	2	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.5560	0.000	1	114.0755	0.540	2	114.0755	0.540	2	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6,6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH){2|C<3>,3|C<4>,4|H<1>}	113.3530	1.089	2	113.3530	1.186	2	113.3530	1.186	2	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	112.5510	0.000	1	112.5510	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	115.7260	0.000	1	115.7260	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.9310	0.000	1	111.6520	1.804	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.3270	1.894	2	111.6520	1.804	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.0230	0.000	1	111.6520	1.804	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	116.5810	4.721	4	116.5810	22.290	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.4590	0.000	1	113.4590	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.5310	0.000	1	113.2930	0.207	3	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.1740	0.574	2	113.2930	0.207	3	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	114.7500	0.903	3	113.7240	1.545	21	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	112.7445	0.545	2	113.7240	1.545	21	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	113.9073	1.908	4	113.7240	1.545	21	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.8713	0.952	9	113.7240	1.545	21	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	112.6643	1.006	3	113.7240	1.545	21	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	114.2700	0.000	1	114.2700	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	113.2597	0.166	3	113.2597	0.028	3	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	112.3820	0.000	1	112.3820	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.8994	0.925	5	111.8994	0.856	5	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	112.9250	0.000	1	112.9250	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	110.4960	0.000	1	110.4960	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.5307	0.677	4	111.5307	0.459	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[6]HH){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.8910	0.000	1	112.8910	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	112.1630	1.264	2	112.1630	1.598	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	111.6420	0.000	1	111.6420	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	108.2583	1.090	8	108.7759	3.452	9	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.9170	0.000	1	108.7759	3.452	9	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	111.6865	0.878	2	111.6865	0.770	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	112.3080	0.000	1	112.3080	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.1450	0.000	1	114.1450	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	111.3105	0.220	2	111.3105	0.048	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	112.2460	0.000	1	112.2460	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	110.5430	0.000	1	111.5360	1.972	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	112.5290	0.000	1	111.5360	1.972	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	111.1890	0.000	1	111.1890	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	113.0610	0.564	2	113.0610	0.318	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	112.2880	0.000	1	112.2880	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	113.4270	0.000	1	113.4270	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	112.6950	1.199	2	112.6950	1.438	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	112.4900	0.000	1	112.4900	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH){1|H<1>,3|C<4>}	112.3280	0.000	1	112.3280	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH){2|C<3>}	112.5440	0.000	1	112.5440	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	111.4830	0.000	1	111.2222	3.897	13	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	111.2005	2.060	12	111.2222	3.897	13	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	110.6133	1.644	3	110.6133	2.703	3	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	110.0760	1.594	2	110.0760	2.540	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	115.6575	0.623	2	115.6575	0.388	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH){1|H<1>,2|C<3>}	113.3455	1.723	2	113.3455	2.969	2	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH){2|C<3>}	112.8520	0.000	1	112.8520	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	112.9717	1.854	6	112.7045	2.486	11	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	112.3838	1.298	5	112.7045	2.486	11	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.1970	0.000	1	113.1687	1.708	13	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	113.0010	1.447	7	113.1687	1.708	13	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	113.3978	1.367	5	113.1687	1.708	13	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	114.7782	0.819	4	114.7782	0.670	4	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	112.8460	0.000	1	113.5158	0.969	6	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.4710	0.332	2	113.5158	0.969	6	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	114.1040	0.000	1	113.5158	0.969	6	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.0020	0.000	1	113.5158	0.969	6	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	112.2010	0.000	1	113.5158	0.969	6	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(CC[6a]HH){1|C<3>,2|H<1>}	114.1013	0.768	3	114.1013	0.590	3	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]D)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,1|D<1>}	111.9640	0.000	1	112.2043	1.984	7	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]D)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,2|D<1>}	112.2443	1.539	6	112.2043	1.984	7	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	115.3640	0.000	1	113.1853	2.181	7	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	112.8222	1.229	6	113.1853	2.181	7	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	113.5990	0.000	1	113.5990	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.8430	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	111.3900	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.7300	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.4550	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.1171	2.454	9	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.6983	0.329	3	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	112.2940	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	110.9364	1.905	12	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	111.6998	1.265	5	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	111.7105	2.149	2	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	114.0120	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|C<4>}	112.7927	0.939	3	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.8385	1.993	277	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	114.5840	0.448	2	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	114.1500	0.681	3	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	111.9913	1.787	9	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|N<2>,2|H<1>}	114.5790	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){3|C<3>}	113.8040	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.9390	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|O<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.7937	1.890	3	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.5210	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.3478	0.959	4	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){2|Br<1>,1|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	108.5170	0.000	1	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.5923	1.483	3	111.0379	4.002	346	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	112.7870	0.000	1	112.7870	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	111.9145	0.076	2	113.2936	0.753	14	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	112.9510	0.000	1	113.2936	0.753	14	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.3854	0.924	5	113.2936	0.753	14	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	113.7338	0.498	6	113.2936	0.753	14	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	111.7800	0.000	1	111.7800	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	113.2500	0.000	1	113.2500	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	113.8070	0.000	1	113.8070	0.000	1	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	113.2480	1.089	4	112.7271	1.552	8	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	112.2062	1.308	4	112.7271	1.552	8	111.6072	4.513	530	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-3:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	114.7870	0.000	1	114.0210	2.930	3	114.0210	2.930	3	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-3:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.6380	2.232	2	114.0210	2.930	3	114.0210	2.930	3	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-3:C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	114.3735	0.947	2	114.3918	0.583	4	114.3918	0.583	4	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-3:C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	114.4100	0.922	2	114.3918	0.583	4	114.3918	0.583	4	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	116.1490	0.449	4	116.1490	0.201	4	116.0288	0.171	6	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	115.7885	0.282	2	115.7885	0.080	2	116.0288	0.171	6	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	111.7110	0.000	1	111.7110	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	112.0118	1.730	5	112.0118	2.993	5	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	114.1750	0.000	1	114.1750	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	115.3800	0.000	1	115.3800	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	113.6480	0.344	2	113.6480	0.118	2	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	113.2680	2.420	2	113.2680	5.855	2	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	114.9370	0.000	1	114.9370	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.7540	0.000	1	116.7540	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	112.3660	0.000	1	112.3660	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	116.0710	0.000	1	116.0710	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	116.0690	0.000	1	116.0690	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	112.4767	0.477	3	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	114.8680	0.091	2	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	112.0570	0.000	2	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	111.5320	0.000	1	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	113.3898	1.696	12	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	112.3590	0.000	1	113.1357	2.284	21	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	113.8980	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	112.9170	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.8400	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	115.5010	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	115.7230	0.973	2	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	114.0465	0.996	2	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	115.0760	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	114.4870	0.000	1	114.7258	1.203	10	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	111.7480	0.000	1	111.7480	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	114.2445	0.202	2	114.4723	0.083	4	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	114.7000	0.000	2	114.4723	0.083	4	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	115.7460	0.000	1	115.7460	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	114.6070	0.000	1	114.6070	0.000	1	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	112.9487	0.751	6	112.9487	0.564	6	113.6417	2.577	61	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	111.9272	4.822	619	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	114.4213	0.387	3	114.4213	0.150	3	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	110.6280	0.000	1	110.6280	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	114.1100	0.000	1	114.1100	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	114.2840	0.000	1	114.2840	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	115.6280	0.000	1	115.6280	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	112.7750	0.000	1	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	112.8920	0.000	1	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	112.0910	1.139	3	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.0980	0.000	1	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.2865	0.781	2	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	111.1900	0.000	1	112.5334	1.749	9	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	112.6690	0.742	2	112.6690	0.551	2	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	114.0270	0.000	1	112.9008	1.469	10	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	113.0140	0.000	1	112.9008	1.469	10	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	113.0295	0.555	2	112.9008	1.469	10	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	112.5072	1.899	4	112.9008	1.469	10	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	112.9395	0.402	2	112.9008	1.469	10	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	114.7310	0.000	1	114.7310	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	112.3710	0.000	1	112.3710	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	114.3680	0.000	1	114.3680	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	112.7540	0.000	1	112.7540	0.000	1	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	113.6220	0.630	4	113.6220	0.397	4	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.1815	2.047	2	113.1815	4.191	2	113.1615	1.706	38	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.5335	1.107	2	113.5335	1.225	2	113.6963	0.692	3	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	114.0220	0.000	1	114.0220	0.000	1	113.6963	0.692	3	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	111.6320	0.000	1	111.6320	0.000	1	113.0738	1.723	5	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	115.1260	0.000	1	115.1260	0.000	1	113.0738	1.723	5	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	112.7140	0.574	2	112.8703	0.238	3	113.0738	1.723	5	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	113.1830	0.000	1	112.8703	0.238	3	113.0738	1.723	5	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	113.8075	0.521	2	113.8075	0.272	2	113.0947	1.362	6	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	110.9970	0.000	1	112.5535	4.845	2	113.0947	1.362	6	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	114.1100	0.000	1	112.5535	4.845	2	113.0947	1.362	6	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.0470	0.000	1	113.0470	0.000	1	113.0947	1.362	6	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	112.7990	0.000	1	112.7990	0.000	1	113.0947	1.362	6	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	116.3790	0.000	1	116.3790	0.000	1	116.1960	0.067	2	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	116.0130	0.000	1	116.0130	0.000	1	116.1960	0.067	2	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	112.6570	0.286	2	112.6570	0.082	2	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.6170	0.000	1	113.6170	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	114.1840	0.000	1	114.1840	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	115.8390	0.000	1	115.8390	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	117.2070	0.370	3	115.2497	2.716	9	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	115.7620	0.000	1	115.2497	2.716	9	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	114.0310	0.363	2	115.2497	2.716	9	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	113.5260	0.634	2	115.2497	2.716	9	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	114.7500	0.000	1	115.2497	2.716	9	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	114.6100	0.000	1	114.6100	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	113.5960	0.000	1	113.5960	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	113.0670	0.000	1	113.0670	0.000	1	114.5573	2.447	17	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	113.6417	2.314	74	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.6080	0.000	1	112.6080	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	111.6440	0.000	1	111.6440	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH){2|C<4>,2|H<1>}	109.6150	0.000	1	109.6150	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	111.9670	0.590	6	111.9670	0.348	6	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	113.1110	0.000	1	113.1110	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	112.9590	0.000	1	112.9590	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	114.2750	0.000	1	114.2750	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	110.5900	0.000	1	110.5900	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	115.7150	0.000	1	115.7150	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	111.9565	2.102	2	111.9565	4.419	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	115.1540	0.484	2	115.1540	0.234	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	111.5660	0.000	1	111.5660	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	113.3752	0.843	5	113.3752	0.711	5	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	113.7650	0.342	2	113.7650	0.117	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	111.7310	0.000	1	111.7310	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	113.4550	0.000	1	113.4550	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	112.1260	0.000	1	112.1260	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	114.5560	0.000	1	114.5560	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	114.3600	0.000	1	114.3600	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.7410	0.000	1	112.7410	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	112.8600	0.000	1	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.3840	0.000	1	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.2375	0.312	2	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	112.4490	0.000	1	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	116.6900	0.000	1	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	113.7765	1.568	2	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	112.3702	1.125	5	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	111.1880	0.000	1	112.8179	2.655	14	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.2975	0.521	2	113.2975	0.272	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.9185	0.245	2	112.2703	5.512	3	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	114.9740	0.000	1	112.2703	5.512	3	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	111.9860	0.000	1	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	114.2770	1.921	2	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.2680	0.000	1	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	111.2280	0.000	1	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	111.2970	1.062	2	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	112.3630	0.000	1	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	113.6920	2.124	2	112.9377	3.225	10	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	112.0140	0.000	1	112.9539	2.232	12	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	113.0394	1.536	11	112.9539	2.232	12	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH){2|C<4>,2|H<1>}	113.6840	0.000	1	113.6840	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	113.4470	1.332	2	113.4470	1.775	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	111.2265	0.028	2	111.2265	0.001	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	112.6070	0.000	1	112.6070	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.1510	0.000	1	112.7040	0.612	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	113.2570	0.000	1	112.7040	0.612	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	112.8195	0.637	4	112.8195	0.405	4	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	114.8870	0.508	2	114.8870	0.258	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	112.1180	0.000	1	112.1180	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	112.3815	0.885	2	112.3815	0.783	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	112.5395	1.320	2	113.4420	1.673	4	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	114.3445	0.129	2	113.4420	1.673	4	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<3>,2|C<4>}	111.3240	0.000	1	111.3240	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	115.3005	0.226	2	115.3005	0.051	2	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	111.2170	0.000	1	111.2170	0.000	1	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	111.9532	0.739	8	111.9532	0.547	8	112.8366	2.106	106	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	114.3340	0.000	1	114.3340	0.000	1	114.1908	0.119	5	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	113.6540	0.000	1	113.6540	0.000	1	114.1908	0.119	5	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	114.3395	0.337	2	114.3395	0.114	2	114.1908	0.119	5	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	114.2870	0.000	1	114.2870	0.000	1	114.1908	0.119	5	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6]-3:C-4:	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6]-3:C-4:	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6,6]-4:C[6]-3:C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,3x6]-4:C[6]-3:C-4:	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[6]-3:C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	116.1320	0.823	2	116.1320	0.677	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	113.6750	1.360	2	113.6750	1.851	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH){2|H<1>,5|C<4>}	112.6980	0.000	1	112.6980	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	113.8255	0.245	2	113.8255	0.060	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	114.1915	0.706	2	114.1915	0.499	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	113.8340	0.208	2	113.8340	0.043	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	114.1360	0.000	1	114.1360	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	113.2160	0.000	1	113.2160	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	111.9540	0.000	1	111.9540	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	114.4140	0.000	1	114.4140	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH){1|H<1>,4|C<4>}	113.6100	0.000	1	113.6100	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	111.5130	0.000	1	111.5130	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	108.5930	0.000	1	108.5930	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	113.4600	0.000	1	113.4600	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	112.2770	0.000	1	112.2770	0.000	1	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	113.1755	0.093	2	113.1755	0.009	2	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.6883	0.171	6	114.6883	0.029	6	113.7024	2.223	28	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.8790	0.000	1	113.8790	0.000	1	114.9500	2.294	2	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	116.0210	0.000	1	116.0210	0.000	1	114.9500	2.294	2	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	113.8120	0.000	1	113.8120	0.000	1	112.4470	0.594	6	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.5640	0.000	1	112.5640	0.000	1	112.4470	0.594	6	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	112.2990	0.000	1	112.2990	0.000	1	112.4470	0.594	6	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	112.2815	0.105	2	112.2815	0.011	2	112.4470	0.594	6	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	111.4440	0.000	1	111.4440	0.000	1	112.4470	0.594	6	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6]-3:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH){1|H<1>,4|C<3>}	114.1290	0.000	1	114.1290	0.000	1	114.1290	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	114.7700	0.000	1	114.7700	0.000	1	114.5180	0.127	2	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH){2|C<3>}	114.2660	0.000	1	114.2660	0.000	1	114.5180	0.127	2	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6]-3:C-4:	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH)	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH){1|C<4>,2|C<3>,2|N<3>}	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	113.1479	2.248	156	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:N[6]-2:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.8100	0.854	2	113.8100	0.730	2	113.8100	0.730	2	113.6138	0.320	5	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	112.9620	0.000	1	112.9620	0.000	1	113.4830	0.212	3	113.6138	0.320	5	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	113.8330	0.000	1	113.7435	0.016	2	113.4830	0.212	3	113.6138	0.320	5	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	113.6540	0.000	1	113.7435	0.016	2	113.4830	0.212	3	113.6138	0.320	5	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	6:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si[6,6]-6:C[6]-3:C-4:	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	115.1885	0.162	2	115.1885	0.026	2	115.1885	0.026	2	115.1885	0.026	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	110.9405	0.433	2	110.9405	0.188	2	110.9405	0.188	2	110.9405	0.188	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	112.7900	3.082	2	112.7900	9.496	2	112.7335	5.868	4	112.7335	5.868	4	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C-4:N[6]-2:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	112.6770	2.845	2	112.6770	8.096	2	112.7335	5.868	4	112.7335	5.868	4	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	111.8965	0.391	2	111.8965	0.153	2	112.1184	0.318	8	112.1184	0.318	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	112.8470	0.089	2	112.8470	0.008	2	112.1184	0.318	8	112.1184	0.318	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	111.8650	0.464	4	111.8650	0.216	4	112.1184	0.318	8	112.1184	0.318	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6]H)2(CC[6a]3)	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|H<1>}	108.2287	3.684	3	108.2287	13.575	3	108.2287	13.575	3	108.2287	13.575	3	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:2:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5,6]-4:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	110.0225	0.110	2	110.0225	0.012	2	110.0225	0.012	2	110.0225	0.012	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(CC[6a]CH){3|C<3>}	110.0370	2.249	2	110.0370	5.056	2	110.1093	1.739	6	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	110.9440	0.000	1	110.9440	0.000	1	110.1093	1.739	6	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]C)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(CC[6a]CH){1|C<3>,2|H<1>}	111.1730	0.000	1	111.1730	0.000	1	110.1093	1.739	6	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	109.2325	0.511	2	109.2325	0.261	2	110.1093	1.739	6	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	112.1280	0.000	1	112.6950	0.643	2	112.6950	0.643	2	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	113.2620	0.000	1	112.6950	0.643	2	112.6950	0.643	2	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	112.5440	0.000	1	112.5440	0.000	1	112.5440	0.000	1	110.9544	2.776	9	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	110.9195	0.573	2	110.2157	1.651	3	110.3063	1.133	4	110.3278	0.763	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	108.8080	0.000	1	110.2157	1.651	3	110.3063	1.133	4	110.3278	0.763	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	110.5780	0.000	1	110.5780	0.000	1	110.3063	1.133	4	110.3278	0.763	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.0030	0.477	2	111.0030	0.227	2	111.0030	0.227	2	110.3278	0.763	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	109.6955	0.040	2	109.6955	0.002	2	109.6955	0.002	2	110.3278	0.763	8	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	108.3810	0.000	1	108.3810	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	109.2140	0.000	1	109.2140	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	109.5970	0.000	1	109.5970	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	110.5190	0.000	1	110.5190	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	113.0490	0.000	1	113.0490	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	110.3050	0.000	1	110.3050	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	108.9695	0.360	2	109.3787	0.797	4	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	109.7880	1.261	2	109.3787	0.797	4	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	109.1950	0.000	1	109.8767	0.414	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	109.9620	0.000	1	109.8767	0.414	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	110.4730	0.000	1	109.8767	0.414	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	110.1160	0.000	1	110.1160	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	109.5825	0.163	2	109.3410	0.188	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	108.8580	0.000	1	109.3410	0.188	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	110.0510	0.000	1	110.2113	1.142	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	109.2320	0.000	1	110.2113	1.142	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	111.3510	0.000	1	110.2113	1.142	3	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	109.7100	0.000	1	109.7100	0.000	1	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	110.4985	0.064	2	110.4985	0.004	2	109.8996	1.015	23	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[6]-3:C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	112.5829	0.646	8	112.5829	0.417	8	112.5829	0.417	8	110.5920	2.266	31	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	111.4900	0.000	1	111.4900	0.000	1	110.9065	0.681	2	110.9065	0.681	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	110.3230	0.000	1	110.3230	0.000	1	110.9065	0.681	2	110.9065	0.681	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	5:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	Ga[6,6]-5:C[6]-3:C-4:	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	111.7255	0.460	2	111.7255	0.212	2	111.7255	0.212	2	111.7255	0.212	2	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP2	C	C[6a]	N[6]	4:3:3:1:	3:3:4:	4:3:3:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]N[6]H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]N[6]H){1|C<3>,2|H<1>}	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	112.2299	4.535	946	112.2345	4.517	951
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,3x6]-4:C[3x6]-4:C-4:	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	113.7770	0.236	2	113.7770	0.056	2	113.7770	0.056	2	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[3x6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	115.0350	0.000	1	115.0350	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	113.7860	0.000	2	113.7860	0.000	2	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	111.0940	0.000	1	111.0940	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	112.5650	0.000	1	112.5650	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	112.0630	0.000	1	112.0630	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	112.5470	0.000	1	112.5470	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	113.8880	0.000	1	113.8880	0.000	1	113.0955	1.571	8	113.2602	1.189	11	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6,6]	3:3:4:1:	3:3:4:	4:4:4:	N[6,6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6,6]CH)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6,6]CH){1|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	113.0072	1.848	12	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	2:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	111.0010	0.000	1	111.0010	0.000	1	110.9475	0.006	2	110.9475	0.006	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	110.8940	0.000	1	110.8940	0.000	1	110.9475	0.006	2	110.9475	0.006	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	112.1690	0.000	1	112.1690	0.000	1	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	113.2585	0.705	2	113.2585	0.497	2	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	112.0450	0.000	1	112.0450	0.000	1	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.7790	0.000	1	113.7790	0.000	1	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	113.1500	0.000	1	112.8410	1.444	4	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	112.7380	1.450	3	112.8410	1.444	4	112.8749	0.892	9	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	114.2125	3.536	2	114.2125	12.505	2	114.2125	12.505	2	113.1181	2.257	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	113.1864	2.343	5	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH){1|Se<2>,1|N<3>,1|S<2>,2|C<3>}	114.1350	0.000	1	114.1350	0.000	1	114.1350	0.000	1	113.1864	2.343	5	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-3:C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	113.1864	2.343	5	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.1864	2.343	5	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6]-3:C[6]-3:C-4:	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	113.1864	2.343	5	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	115.4560	0.000	1	115.4560	0.000	1	115.4560	0.000	1	115.4560	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	114.0590	0.551	3	114.0590	0.304	3	114.0590	0.304	3	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	112.8910	0.000	1	112.8910	0.000	1	112.6916	0.405	7	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	112.1980	0.000	1	112.1980	0.000	1	112.6916	0.405	7	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	113.7020	0.000	1	113.7020	0.000	1	112.6916	0.405	7	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	112.3360	0.802	2	112.3360	0.643	2	112.6916	0.405	7	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[6]-4:C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	112.6890	0.477	2	112.6890	0.227	2	112.6916	0.405	7	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.7363	0.399	3	113.7363	0.159	3	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	114.1530	0.000	1	114.1530	0.000	1	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.4980	0.000	1	114.4980	0.000	1	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.5430	0.000	1	113.5430	0.000	1	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	114.2440	0.000	1	114.2440	0.000	1	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	114.5040	0.000	1	114.5040	0.000	1	114.0189	0.188	8	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	113.5880	0.000	1	113.5880	0.000	1	113.5880	0.000	1	113.5495	0.659	20	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	112.2460	0.000	1	112.2460	0.000	1	111.5310	1.022	2	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	110.8160	0.000	1	110.8160	0.000	1	111.5310	1.022	2	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6,6]-4:C[6]-3:C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	113.8020	0.000	1	113.8020	0.000	1	113.6712	0.294	6	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	113.1530	0.000	1	113.1530	0.000	1	113.6712	0.294	6	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	113.7275	0.689	2	113.7680	0.382	4	113.6712	0.294	6	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	113.8085	0.815	2	113.7680	0.382	4	113.6712	0.294	6	113.3944	1.318	11	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.1940	0.000	1	112.5075	3.451	2	111.4420	2.032	7	111.4420	2.032	7	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	113.8210	0.000	1	112.5075	3.451	2	111.4420	2.032	7	111.4420	2.032	7	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.4520	0.000	1	111.4520	0.000	1	111.4420	2.032	7	111.4420	2.032	7	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	109.7660	0.297	2	109.7660	0.088	2	111.4420	2.032	7	111.4420	2.032	7	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	112.0475	0.175	2	112.0475	0.031	2	111.4420	2.032	7	111.4420	2.032	7	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH){2|H<1>,5|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.1440	0.100	2	113.1440	0.010	2	113.1440	0.010	2	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.9440	0.000	1	113.9440	0.000	1	113.0252	0.884	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	111.5780	0.000	1	111.5780	0.000	1	113.0252	0.884	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	113.5370	0.000	1	113.4905	0.004	2	113.0252	0.884	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.4440	0.000	1	113.4905	0.004	2	113.0252	0.884	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH){1|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.6230	0.000	1	112.6230	0.000	1	113.0252	0.884	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	111.8845	0.490	8	112.2041	0.581	11	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	113.0563	0.754	3	112.2041	0.581	11	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH){2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.8050	0.000	1	113.8050	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	112.6640	0.000	1	112.3410	0.398	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|N<2>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	112.1795	0.800	2	112.3410	0.398	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.6030	0.745	5	113.6030	0.554	5	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	111.5960	0.000	1	111.5960	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	114.7255	0.153	2	113.6994	0.673	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	114.0195	0.005	2	113.6994	0.673	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.0263	0.435	4	113.6994	0.673	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	112.2640	0.000	1	112.2640	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	115.9020	0.000	1	115.9020	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	113.4150	0.480	3	113.3503	0.170	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.1560	0.000	1	113.3503	0.170	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	112.6533	0.537	3	113.4899	1.677	7	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	114.1172	1.392	4	113.4899	1.677	7	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	113.4000	0.000	1	113.4000	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	115.9360	0.000	1	115.9360	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	115.3110	0.000	1	114.6670	0.771	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	114.3450	0.959	2	114.6670	0.771	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	112.0430	0.000	1	112.0430	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.8785	0.063	2	112.8785	0.004	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	114.3860	1.196	22	114.1195	1.900	27	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	113.2387	0.898	3	114.1195	1.900	27	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.5090	2.939	2	114.1195	1.900	27	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	112.6045	0.374	2	112.5362	0.122	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	112.4680	0.455	2	112.5362	0.122	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	113.2550	0.000	1	113.2550	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<2>,1|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	111.8660	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.0850	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	112.2950	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	113.6330	0.481	2	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.1750	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	113.3710	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	110.5550	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	112.1720	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.9287	0.366	3	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.6601	1.249	10	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.7050	0.620	3	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.1430	0.873	3	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){2|Cl<1>,1|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	111.0830	0.000	1	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){2|Cl<1>,1|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.8845	0.002	2	112.9861	1.177	31	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.3370	0.286	2	112.3370	0.082	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	111.0680	0.000	1	111.0680	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	113.2540	0.000	1	112.9595	0.872	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.1980	0.000	1	112.9595	0.872	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	112.8694	1.216	5	112.9595	0.872	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	112.8770	0.000	1	112.9595	0.872	8	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.9340	0.000	1	113.9340	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	112.3780	0.000	1	112.3780	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	116.0880	0.000	1	116.0880	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.3260	0.000	1	113.3260	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	117.5010	0.000	1	117.5010	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	114.4820	0.000	1	114.5455	0.008	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	114.6090	0.000	1	114.5455	0.008	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.1110	0.000	1	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	114.0920	0.000	1	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	112.0710	0.000	1	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	113.3305	0.644	2	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	115.1210	1.172	2	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	113.4630	2.097	2	113.6781	1.720	9	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	115.3520	0.000	1	115.3520	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	114.8420	0.231	3	114.0463	2.569	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	111.6590	0.000	1	114.0463	2.569	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	110.5495	0.375	2	110.5495	0.141	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	114.4230	0.552	2	114.4230	0.304	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	118.1560	0.000	1	118.1560	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	113.7833	1.954	11	113.7840	3.088	14	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	113.2510	0.511	2	113.7840	3.088	14	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	114.8580	0.000	1	113.7840	3.088	14	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	114.3236	3.283	5	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	113.5490	0.000	1	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	112.9255	1.074	2	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	111.6558	0.772	5	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	113.6436	1.546	5	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){5|C<4>}	113.1930	0.000	1	113.1952	4.206	19	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	113.1750	0.000	1	113.1750	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	112.9886	2.357	5	112.9886	5.554	5	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	113.6570	0.000	1	113.6570	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	114.0730	0.000	1	114.0730	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	112.8075	0.583	2	112.8075	0.340	2	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	111.6410	0.000	1	112.1075	0.578	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.1670	0.000	1	112.1075	0.578	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	111.4810	0.000	1	112.1075	0.578	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	112.1410	0.000	1	112.1075	0.578	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	112.7990	0.305	3	112.7990	0.093	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	114.1750	0.000	1	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.7720	0.000	1	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	113.7220	0.247	2	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	114.8660	0.000	1	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	112.5280	0.000	1	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	114.5135	2.560	2	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	111.3525	0.855	2	113.4517	2.449	10	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	112.8720	0.000	1	112.8720	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	111.8850	0.000	1	111.8850	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	113.3820	0.000	1	113.3820	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	110.8860	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.9300	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	113.1580	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	115.2190	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	113.7837	0.750	3	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	112.8780	0.341	2	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	112.8922	0.762	5	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	112.9350	1.580	20	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	115.2270	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.5348	1.472	25	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	114.0455	1.972	2	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	113.5344	0.980	12	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	114.5160	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){3|C<3>}	113.7495	1.744	4	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	114.1040	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	113.0920	0.105	2	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	112.8070	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	113.8090	0.000	1	113.3807	1.818	84	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	112.9110	0.000	1	112.9110	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	114.0385	1.098	2	112.7463	5.612	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.1620	0.000	1	112.7463	5.612	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.8515	0.206	2	112.9915	0.909	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	113.1315	1.614	2	112.9915	0.909	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	111.4020	1.659	3	111.8053	2.485	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	113.0150	0.000	1	111.8053	2.485	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	112.9330	0.000	1	113.8717	0.707	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	114.3410	0.304	2	113.8717	0.707	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	111.9195	0.308	2	113.0970	1.890	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	114.2745	0.175	2	113.0970	1.890	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	111.1300	1.055	2	112.9425	2.610	6	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	113.8487	0.833	4	112.9425	2.610	6	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	112.9360	0.000	1	111.2680	1.504	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	111.0480	0.355	2	111.2680	1.504	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){2|Cu<2>,3|C<4>}	110.0400	0.000	1	111.2680	1.504	4	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH){3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	114.6270	0.000	1	114.6270	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	112.2430	0.000	1	112.2430	0.000	1	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	111.4795	1.597	2	111.7603	1.512	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	112.3220	0.000	1	111.7603	1.512	3	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	110.6553	1.847	3	110.4873	4.239	7	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	N[6](C[6]C[6]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	110.3612	2.481	4	110.4873	4.239	7	113.2376	2.337	338	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	110.8630	0.000	1	110.8630	0.000	1	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	111.0440	0.000	1	111.0440	0.000	1	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	113.3490	0.000	1	113.1415	0.086	2	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	112.9340	0.000	1	113.1415	0.086	2	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	112.7680	1.532	3	112.7680	2.347	3	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	111.1520	0.000	1	111.1520	0.000	1	112.2057	1.678	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	113.3940	0.000	1	113.3940	0.000	1	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.4560	0.000	1	111.4560	0.000	1	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	111.2220	0.000	1	112.0475	1.363	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.8730	0.000	1	112.0475	1.363	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	112.6470	0.000	1	112.6470	0.000	1	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	113.2760	0.000	1	113.2760	0.000	1	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	114.4080	0.000	1	113.9285	0.460	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	113.4490	0.000	1	113.9285	0.460	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	113.8060	0.000	1	113.2775	0.559	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	112.7490	0.000	1	113.2775	0.559	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.9660	0.088	2	110.9660	0.008	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	112.1155	0.672	2	112.1155	0.452	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	113.5070	1.261	2	113.5070	1.591	2	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	110.7220	0.000	1	110.7220	0.000	1	112.5399	1.426	17	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:S[6]-4:C-4:	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH){3|C<4>,4|H<1>}	111.4590	0.751	3	111.4590	0.565	3	111.4590	0.565	3	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	113.1920	2.085	2	113.1920	4.345	2	111.6690	8.202	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	110.6537	3.220	3	110.6537	10.366	3	111.6690	8.202	5	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:S[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	110.6230	0.000	1	110.0447	0.296	3	110.0447	0.296	3	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:S[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<4>,3|H<1>}	109.5420	0.000	1	110.0447	0.296	3	110.0447	0.296	3	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:S[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){2|C<4>,2|H<1>}	109.9690	0.000	1	110.0447	0.296	3	110.0447	0.296	3	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	112.9855	2.398	4	112.9855	5.751	4	112.3805	3.228	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	111.6613	1.063	3	111.6613	1.131	3	112.3805	3.228	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	112.1180	0.000	1	112.1180	0.000	1	112.3805	3.228	8	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	110.2385	1.248	4	110.2385	1.558	4	110.5103	1.856	7	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	109.0440	0.000	1	109.0440	0.000	1	110.5103	1.856	7	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S[6]-4:C[6]-4:C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	111.7870	0.868	2	111.7870	0.754	2	110.5103	1.856	7	113.0570	2.545	398	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	110.5990	0.141	2	110.5990	0.020	2	110.5990	0.020	2	110.5990	0.020	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]N[6]H)	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]N[6]H){1|C<3>,2|H<1>}	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.4595	0.500	6	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.4595	0.500	6	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	111.3210	0.000	1	111.3210	0.000	1	111.4595	0.500	6	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.4595	0.500	6	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	111.3380	1.539	2	111.3380	2.367	2	111.4595	0.500	6	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6]HN)	N[6](C[6]C[6]HH)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6]HN){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	113.4670	0.000	1	113.4670	0.000	1	111.6885	10.003	4	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN)	N[6](C[6]C[6]HH)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	108.6180	0.000	1	109.0365	0.350	2	111.6885	10.003	4	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN)	N[6](C[6]C[6]HH)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN){1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|O<2>,4|H<1>}	109.4550	0.000	1	109.0365	0.350	2	111.6885	10.003	4	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN)	N[6](C[6]C[6]HH)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	115.2140	0.000	1	115.2140	0.000	1	111.6885	10.003	4	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|Br<1>,1|C<3>,1|H<1>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	112.2905	2.785	2	112.4060	4.751	4	112.2706	2.882	8	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|C<3>,2|H<1>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	112.5215	2.538	2	112.4060	4.751	4	112.2706	2.882	8	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H){1|C<3>,1|H<1>,1|N<3>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	111.4590	1.447	2	112.1352	1.925	4	112.2706	2.882	8	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H){1|C<3>,2|H<1>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	112.8115	1.361	2	112.1352	1.925	4	112.2706	2.882	8	112.0455	3.641	19	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	108.9240	0.000	1	108.9240	0.000	1	110.1568	0.340	12	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	110.6037	0.579	3	110.3339	0.232	9	110.1568	0.340	12	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	110.2655	0.516	4	110.3339	0.232	9	110.1568	0.340	12	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	110.0660	0.054	2	110.3339	0.232	9	110.1568	0.340	12	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	109.9760	0.127	2	109.9760	0.016	2	110.1568	0.340	12	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	113.5865	0.300	4	113.5865	0.090	4	113.5865	0.090	4	111.0142	2.620	16	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	108.3660	0.000	1	108.3660	0.000	1	109.9520	5.031	2	109.9520	5.031	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:O[6]-2:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	111.5380	0.000	1	111.5380	0.000	1	109.9520	5.031	2	109.9520	5.031	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6]-4:C[6]-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	113.0170	0.000	1	113.0170	0.000	1	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	111.8080	0.000	1	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	112.0260	0.000	1	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	111.4890	0.733	2	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	112.0270	0.829	3	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	112.8120	0.000	1	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	112.5250	0.000	1	112.0256	0.425	9	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	112.0425	0.049	2	112.0425	0.002	2	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	112.6620	0.000	1	112.6620	0.000	1	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	111.0210	0.000	1	111.0210	0.000	1	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]2H){2|H<1>,3|C<4>}	111.4915	0.662	4	111.4915	0.439	4	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	111.4109	0.951	34	111.2411	1.095	76	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	111.0452	1.104	40	111.2411	1.095	76	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	112.2715	0.302	2	111.2411	1.095	76	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	111.1587	0.987	4	111.1587	0.974	4	111.3667	1.036	98	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	110.2567	0.523	4	110.2567	0.273	4	110.2567	0.273	4	111.3306	1.046	103	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	109.1137	2.113	3	109.1137	4.463	3	109.1137	4.463	3	109.1137	4.463	3	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:4:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6]-4:C[6]-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	109.0950	0.327	2	109.0950	0.107	2	109.0950	0.107	2	109.0950	0.107	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:2:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	110.2330	0.000	1	110.2330	0.000	1	111.3525	2.507	2	111.3525	2.507	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	112.4720	0.000	1	112.4720	0.000	1	111.3525	2.507	2	111.3525	2.507	2	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:2:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:O[6]-2:C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH){3|C<3>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	111.7870	0.000	1	111.7870	0.000	1	110.0030	6.365	2	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	108.2190	0.000	1	108.2190	0.000	1	110.0030	6.365	2	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	115.1780	0.000	1	115.1780	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	115.6420	0.000	1	115.6420	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	114.7555	1.494	2	114.7555	2.232	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	113.0550	0.000	1	113.0550	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	112.1830	0.000	1	112.0510	0.035	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	111.9190	0.000	1	112.0510	0.035	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.4770	0.000	1	108.3290	0.044	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	108.1810	0.000	1	108.3290	0.044	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	112.0010	0.000	1	111.6160	0.296	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	111.2310	0.000	1	111.6160	0.296	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	112.3180	4.127	2	112.3180	17.029	2	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	110.3410	0.464	4	110.3410	0.215	4	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	106.9650	0.000	1	106.9650	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	108.3060	0.000	1	108.3060	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	110.7050	0.000	1	109.7964	0.750	5	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	108.5600	0.000	1	109.7964	0.750	5	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	109.9057	0.553	3	109.7964	0.750	5	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	109.5793	0.327	3	109.5793	0.107	3	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.2930	3.792	5	112.2930	14.378	5	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	116.1350	0.000	1	116.1350	0.000	1	111.3324	7.588	33	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	110.8252	0.768	4	110.8252	0.589	4	110.7480	0.472	5	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	110.4390	0.000	1	110.4390	0.000	1	110.7480	0.472	5	111.2812	6.250	44	112.5244	3.221	655	112.5330	3.198	667
490	643	856	0:SP3_SP2_SP3	C	C[6a]	N[6]	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H)	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H){1|C<3>,1|H<1>,1|O<2>}	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	112.5244	3.221	655	112.5330	3.198	667