490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	S(C[6a]C[6a]2)(CC[6a]2H)(O)2	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]2H)(O)2	110.5292	2.422	4	110.5292	5.865	4	110.5292	5.865	4	110.5292	5.865	4	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	4:3:1:1:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:O-1:O-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)2	109.2175	1.086	4	109.2175	1.180	4	109.1945	0.752	6	109.1945	0.752	6	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	4:3:1:1:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:O-1:O-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)2	109.1485	0.462	2	109.1485	0.213	2	109.1945	0.752	6	109.1945	0.752	6	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	4:3:2:2:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:O-2:O-2:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(OH)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	S(CC[5a]C[6a]H)(C[6a]C[6a]2)(OH)2	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:3:	2:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:S-4:C-3:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS)	S(C[6a]C[6a]2)(CC[6a]2C)(O)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS){1|C<4>,2|C<3>}	S(C[6a]C[6a]2)(CC[6a]2C)(O)2	106.3000	0.071	2	106.3000	0.005	2	106.3000	0.005	2	106.3000	0.005	2	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:3:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	S(C[6a]C[6a]2)(CC[6a]2C)(O)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]2C)(O)2	104.8955	2.815	2	104.8955	7.924	2	104.8955	7.924	2	104.8955	7.924	2	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:2:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHS)	S(C[6a]C[6a]N[6a])(CC[6a]FH)(O)2	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>}	S(C[6a]C[6a]N[6a])(CC[6a]FH)(O)2	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6,6a]C[6a])(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6,6a]C[6a])(CC[6a]HH)(O)2	111.7770	0.000	1	111.7770	0.000	1	112.3611	7.954	20	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)2	112.1798	3.280	11	112.1798	10.757	11	112.3611	7.954	20	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	112.6833	2.450	8	112.6833	6.003	8	112.3611	7.954	20	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SN[5]OO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS)	S(N[5]C[5]2)(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SN[5]OO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	S(N[5]C[5]2)(CC[6a]HH)(O)2	113.4910	0.819	2	113.4910	0.670	2	113.4910	0.670	2	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(N[6]C[6,6a]C[6])(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(CC[6a]HH)(O)2	113.5270	0.000	1	113.5270	0.000	1	111.9487	4.037	3	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(N[6]C[6]2)(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(N[6]C[6]2)(CC[6a]HH)(O)2	111.1595	2.082	2	111.1595	4.337	2	111.9487	4.037	3	112.3627	6.555	26	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:2:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:O-1:	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)(O)	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NC)(O)	112.9070	0.000	4	112.9070	0.000	4	112.9070	0.000	4	112.9070	0.000	4	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	3:4:3:2:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:O-2:	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(NCH)(OH)	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NCH)(OH)	112.9470	0.000	2	112.9470	0.000	2	112.9470	0.000	2	112.9470	0.000	2	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(O)3	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(CC[6a]HH)(O)3	113.0270	0.590	2	112.9073	0.217	3	112.0716	0.725	14	112.0716	0.725	14	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(O)3	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(O)3	112.6680	0.000	1	112.9073	0.217	3	112.0716	0.725	14	112.0716	0.725	14	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(O)3	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	S(CC[6a]HH)(O)3	111.8041	0.827	10	111.8436	0.632	11	112.0716	0.725	14	112.0716	0.725	14	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(O)3	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|Cl<1>,1|C<3>,1|H<1>}	S(CC[6a]HH)(O)3	112.2390	0.000	1	111.8436	0.632	11	112.0716	0.725	14	112.0716	0.725	14	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(NC)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	S(CC[6a]HH)(NC)(O)2	113.2320	0.000	1	113.2320	0.000	1	113.2320	0.000	1	112.5280	0.600	4	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(OC[6a])(O)2	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS){1|Cl<1>,1|C<3>,1|O<2>}	S(CC[6a]HH)(OC[6a])(O)2	112.2690	0.000	1	112.2690	0.000	1	112.2933	0.570	3	112.5280	0.600	4	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(OC[6a])(O)2	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]HH)(OC[6a])(O)2	112.3055	1.067	2	112.3055	1.139	2	112.2933	0.570	3	112.5280	0.600	4	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CCH)(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CCH)(O)2	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(NCH)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	S(CC[6a]HH)(NCH)(O)2	111.6285	1.005	2	111.6285	1.010	2	111.2690	3.307	8	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(NCH)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NCH)(O)2	109.6670	0.000	1	109.6670	0.000	1	111.2690	3.307	8	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(NCC)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NCC)(O)2	111.9050	1.767	3	111.9050	3.122	3	111.2690	3.307	8	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(NCH)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NCH)(O)2	113.1370	0.000	1	113.1370	0.000	1	111.2690	3.307	8	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(NC[6a]2)(O)2	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NC[6a]2)(O)2	108.3760	0.000	1	108.3760	0.000	1	111.2690	3.307	8	111.5677	3.697	9	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)2(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|O<2>,3|C<3>}	S(CC[6a]HH)2(O)2	111.7165	0.453	2	111.7165	0.205	2	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)2(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(O)2	107.5560	0.000	1	107.5560	0.000	1	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CCHH)(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CCHH)(O)2	114.8255	0.302	2	114.8255	0.091	2	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CHHO)(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CHHO)(O)2	113.0960	0.000	1	113.0960	0.000	1	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)2(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(O)2	109.6934	1.192	5	111.0423	6.295	7	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)2(O)2	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|H<1>,2|C<3>}	S(CC[6a]HH)2(O)2	114.4145	0.501	2	111.0423	6.295	7	111.6178	6.639	13	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[5]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[5]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6]C[6]2C)(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6]C[6]2C)(CC[6a]HH)(O)2	109.9410	0.000	1	109.9410	0.000	1	113.5947	10.013	3	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6]C[6]2H)(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6]C[6]2H)(CC[6a]HH)(O)2	115.4215	0.033	2	115.4215	0.001	2	113.5947	10.013	3	111.7942	7.468	17	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:2:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(SS)(H)	C[6a](C[6a]C[6a]H)2(CHSS)	S(C[6a]C[6a]2)(CC[6a]HS)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(SS)(H)	C[6a](C[6a]C[6a]H)2(CHSS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HS)(O)2	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	107.8388	0.109	4	107.8388	0.012	4	108.5482	2.526	5	109.3197	5.591	6	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	111.3860	0.000	1	111.3860	0.000	1	108.5482	2.526	5	109.3197	5.591	6	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS)	S(C[6a]C[6a]2)(CC[6a]HN)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]HN)(O)2	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	109.3197	5.591	6	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)(CCCH)(O)2	C(C[6a]C[6a]2)(SCOO)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)(CCCH)(O)2	108.7620	0.000	1	108.7620	0.000	1	108.4986	1.665	5	108.4986	1.665	5	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)2(O)2	C(C[6a]C[6a]2)(SCOO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)2(O)2	108.4327	1.480	4	108.4327	2.191	4	108.4986	1.665	5	108.4986	1.665	5	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:2:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS)	S(C[6]C[6]2)(CC[6a]CN)(O)2	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS){1|C<3>,2|H<1>}	S(C[6]C[6]2)(CC[6a]CN)(O)2	104.5460	0.000	1	104.5460	0.000	1	104.5460	0.000	1	104.3347	0.068	3	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:2:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS)	S(C[6a]C[6a]2)(CC[6a]CN)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CN)(O)2	104.2290	0.264	2	104.2290	0.070	2	104.2290	0.070	2	104.3347	0.068	3	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS){1|N<3>,3|C<3>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	105.8740	0.000	1	105.8740	0.000	1	105.8740	0.000	1	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	111.1030	0.000	1	111.1030	0.000	1	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	105.6020	0.000	1	105.6020	0.000	1	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	108.5000	0.000	1	108.5000	0.000	1	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	107.8430	0.000	1	108.6080	1.170	2	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	109.3730	0.000	1	108.6080	1.170	2	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)2	107.7827	1.176	4	107.7827	1.383	4	108.1724	2.701	9	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:S-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)2(F)	C[6a](C[6a]C[6a]H)2(CFSS)	S(C[6a]C[6a]2)(CC[6a]FS)(O)2	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>}	S(C[6a]C[6a]2)(CC[6a]FS)(O)2	112.3195	0.825	4	112.3195	0.681	4	112.3195	0.681	4	109.2543	5.995	15	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)(OC)(O)2	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)(OC)(O)2	110.9880	1.871	2	110.9880	3.501	2	110.9880	3.501	2	110.9880	3.501	2	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:3:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)(NCC)(O)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)(NCC)(O)2	111.0230	0.000	1	111.0230	0.000	1	109.4010	1.978	3	109.4010	1.978	3	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:3:1:1:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:O-1:	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)(NCC)(O)2	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)(NCC)(O)2	108.5900	0.093	2	108.5900	0.009	2	109.4010	1.978	3	109.4010	1.978	3	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:S-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	C[6a](C[6a]C[6a]H)2(CCFS)	S(CC[6a]CF)(CH3)(O)2	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>}	S(CC[6a]CF)(CH3)(O)2	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	111.5633	2.263	7	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C[6]-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	S(CC[6a]C[6]H)(CH3)(O)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	S(CC[6a]C[6]H)(CH3)(O)2	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	111.5633	2.263	7	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	S(CC[6a]CH)(CH3)(O)2	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]CH)(CH3)(O)2	111.0240	0.000	1	111.0240	0.000	1	112.0172	0.510	5	111.5633	2.263	7	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(CC[6a]CH)(CHHS)(O)2	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(CC[6a]CH)(CHHS)(O)2	112.2655	0.518	4	112.2655	0.268	4	112.0172	0.510	5	111.5633	2.263	7	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:2:	3:3:4:	3:4:1:1:	C[6a]-3:S-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CCCS)	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CCCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CC)(O)2	108.7935	0.861	2	108.7935	0.741	2	108.7935	0.741	2	108.7935	0.741	2	110.7967	7.531	138	110.7967	7.531	138
490	643	952	0:SP3_SP2_SP3	C	C[6a]	S	3:4:4:2:	3:3:4:	4:3:1:1:	C[6a]-3:C[6]-4:S-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:O-1:O-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CS)	S(CC[6a]C[6]C)(C[6a]C[6a]2)(O)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CS){1|C<3>,2|H<1>}	S(CC[6a]C[6]C)(C[6a]C[6a]2)(O)2	106.3280	0.198	2	106.3280	0.039	2	106.3280	0.039	2	106.3280	0.039	2	110.7967	7.531	138	110.7967	7.531	138
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5,5]	4:3:1:1:	3:2:4:	4:4:4:1:	P[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH){1|C<3>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S){1|C<3>,2|H<1>,3|C<4>}	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.7895	0.716	2	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5,5]	4:3:1:1:	3:3:4:	4:4:4:1:	P[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:S-1:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5,5]HH)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5,5]HH){1|C<3>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]HH)(S){1|C<3>,2|H<1>,3|C<4>}	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	110.7895	0.716	2	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5]-3:C[5]-3:C-4:S-1:	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	P[5](C[5]C[5]H)2(CC[6a]HH)(S)	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	P[5](C[5]C[5]H)2(CC[6a]HH)(S){2|C<4>}	113.3025	0.390	2	113.3025	0.152	2	113.3025	0.152	2	113.3025	0.152	2	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:B-4:	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	P[5](C[5]C[6a]C[5]H)2(CC[6a]HH)(BH3)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|C<4>,1|H<1>,3|C<3>}	P[5](C[5]C[6a]C[5]H)2(CC[6a]HH)(BH3){4|C<3>,4|H<1>}	115.9090	2.553	2	115.9090	6.516	2	115.9090	6.516	2	115.9090	6.516	2	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:3:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH){1|C<3>,2|F<1>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH){2|S<2>,4|C<3>,4|H<1>}	112.4970	0.000	1	112.4970	0.000	1	113.7847	4.365	6	113.7847	4.365	6	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:3:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH){1|C<3>,2|F<1>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,2|S<2>,6|C<3>}	113.5100	0.000	1	113.5100	0.000	1	113.7847	4.365	6	113.7847	4.365	6	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:3:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH){2|S<2>,4|C<3>,4|H<1>}	112.6170	2.762	2	112.6170	7.628	2	113.7847	4.365	6	113.7847	4.365	6	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:3:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,2|S<2>,6|C<3>}	116.7680	0.000	1	115.7335	2.140	2	113.7847	4.365	6	113.7847	4.365	6	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:3:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|O<2>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,2|S<2>,6|C<3>}	114.6990	0.000	1	115.7335	2.140	2	113.7847	4.365	6	113.7847	4.365	6	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:4:1:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C-4:O-1:	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(O)	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(O){2|H<1>,4|C<3>}	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	114.1465	0.831	2	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:4:1:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:S-1:	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(S)	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(S){1|H<1>,4|C<3>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.1465	0.831	2	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:3:4:2:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	P[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(OIn)	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(OIn){2|H<1>,4|C<3>}	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:4:2:1:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O[5]-2:O-1:	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)	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	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>}	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	112.3050	0.000	1	112.3050	0.000	1	113.7632	1.629	5	113.7632	1.629	5	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:4:2:1:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O[5]-2:O-1:	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)	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	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>}	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	114.6500	1.380	2	114.1278	1.286	4	113.7632	1.629	5	113.7632	1.629	5	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:4:2:1:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:O[5]-2:O-1:	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)	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	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>}	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	113.6055	0.928	2	114.1278	1.286	4	113.7632	1.629	5	113.7632	1.629	5	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:3:1:	3:3:4:	3:4:4:4:	P[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH){1|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.9930	0.000	1	110.9930	0.000	1	111.2145	0.098	2	111.2145	0.098	2	113.6715	3.142	20	113.4095	3.596	22
490	643	955	0:SP3_SP2_SP3	C	C[6a]	P[5]	4:3:3:1:	3:3:4:	3:4:4:4:	P[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CC[6a]CH)	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH){1|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CC[6a]CH){1|B<4>,3|H<1>,4|C<3>}	111.4360	0.000	1	111.4360	0.000	1	111.2145	0.098	2	111.2145	0.098	2	113.6715	3.142	20	113.4095	3.596	22
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:2:3:1:	3:3:4:	4:3:1:	C[6a]-3:S-2:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNS)	N(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SC[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNS){1|C<3>,2|H<1>}	N(CC[6a]HS)(CC[6a]O)(H)	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:3:	3:3:4:	4:3:1:	C[6a]-3:S-2:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(CF3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNS)	N(CC[6a]CS)(COO)(H)	C(C[6a]C[6a]2)(SC[6a])(CF3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNS){1|C<3>,2|H<1>}	N(CC[6a]CS)(COO)(H)	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	2:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C[5]-3:C-4:H-1:	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N(C[5]N[5]2)(CC[6a]HH)(H)	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	2:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	113.5770	0.000	1	113.5770	0.000	1	113.7383	1.114	3	113.7383	1.114	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	2:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	113.8190	1.479	2	113.8190	2.188	2	113.7383	1.114	3	113.7383	1.114	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	114.7387	0.270	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.7387	0.270	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	114.7387	0.270	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	112.0005	2.614	2	112.0005	6.834	2	112.0005	6.834	2	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[5a]N[5a,6a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]N[5a])(CC[6a]HH)(H)	110.4120	0.000	1	110.4120	0.000	1	112.7135	10.594	2	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	115.0150	0.000	1	115.0150	0.000	1	112.7135	10.594	2	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	109.0420	0.000	1	109.0420	0.000	1	109.7302	0.545	4	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	109.9597	0.709	3	109.9597	0.502	3	109.7302	0.545	4	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	113.2780	2.991	2	113.2780	8.946	2	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.1797	1.290	9	114.2414	2.833	20	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.3100	0.000	1	114.2414	2.833	20	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.5901	1.846	10	114.2414	2.833	20	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.9570	0.000	1	115.9570	0.000	1	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	112.9619	1.645	8	112.9619	2.707	8	113.9044	3.203	31	113.3176	4.777	39	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[4a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)2	112.6093	0.679	6	112.6093	0.462	6	112.6093	0.462	6	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	111.4505	1.088	2	111.4505	1.184	2	111.4505	1.184	2	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	114.8880	1.472	2	114.8880	2.167	2	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	114.8900	0.190	2	114.8900	0.036	2	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	115.0280	0.871	20	115.0280	0.759	20	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	113.7520	0.277	2	113.7520	0.077	2	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)2	114.0091	1.304	10	114.0091	1.702	10	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	114.9465	0.149	2	114.9465	0.022	2	114.6738	1.108	38	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	115.9540	0.000	1	115.9540	0.000	1	115.9540	0.000	1	114.3003	1.868	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:O-1:O-1:	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(O)2	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	N(CC[6a]HH)(O)2	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)(H)	114.1250	0.000	1	114.1250	0.000	1	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCH)(H)	113.1490	1.254	4	113.1490	1.573	4	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCN)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCN)(H)	112.0238	1.387	4	112.0238	1.923	4	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	113.5524	2.037	5	113.5524	4.147	5	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCS)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCS)(H)	111.2970	0.000	1	111.2970	0.000	1	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]O)(H)	113.7957	1.236	6	113.7957	1.527	6	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]O)(H)	113.0408	1.765	6	113.0408	3.117	6	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	113.8123	1.209	16	113.1784	2.365	25	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	111.7360	0.759	6	113.1784	2.365	25	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	112.6823	2.482	3	113.1784	2.365	25	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNN)(H)	111.3605	2.285	2	110.7297	2.386	4	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CNN)(H)	110.0990	0.590	2	110.7297	2.386	4	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNO)(H)	113.4846	1.282	7	113.9438	2.107	9	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNO)(H)	115.5510	0.594	2	113.9438	2.107	9	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNS)(H)	110.3700	0.403	3	110.5658	1.233	5	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CNS)(H)	110.8595	2.078	2	110.5658	1.233	5	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N(CC[6a]HH)(CCO)(H)	111.6393	1.151	4	111.6393	1.324	4	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	113.3200	0.093	2	113.3200	0.009	2	112.8789	2.919	76	112.8789	2.919	76	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	112.2200	2.944	2	112.2200	8.669	2	112.2200	8.669	2	112.2200	8.669	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6]HH)(CNS)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CNS)	112.3300	0.000	1	112.3300	0.000	1	112.4767	1.044	3	112.4767	1.044	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CSS)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CSS)	112.5500	1.434	2	112.5500	2.056	2	112.4767	1.044	3	112.4767	1.044	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PHNN)	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	114.5413	2.941	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6]HH)(SC[6]OO)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(SC[6]OO)	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	114.5413	2.941	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(PCoNN)(CCHH)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PCoNN)(CCHH)	114.1910	0.000	1	114.1910	0.000	1	114.9960	0.395	5	114.5413	2.941	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(PNiNN)(CCHH)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNiNN)(CCHH)	115.1972	0.507	4	115.1972	0.257	4	114.9960	0.395	5	114.5413	2.941	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]N[6a])(NPP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(PC[6a]2Fe)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NPP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Fe)2(CC[6a]HH)	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	114.5413	2.941	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-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)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(CC[6a]HH)	112.0875	1.894	2	112.0875	3.589	2	111.7498	1.535	4	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-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)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(CC[6a]HH)	111.4120	0.748	2	111.4120	0.560	2	111.7498	1.535	4	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	114.3230	0.506	2	114.3230	0.256	2	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	115.0750	0.000	1	115.0750	0.000	1	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	113.5914	0.929	8	113.5914	0.863	8	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	115.4197	1.099	4	115.4197	1.209	4	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	112.8250	0.000	1	112.8250	0.000	1	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	114.9395	1.504	2	114.7023	0.998	6	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	114.5837	0.924	4	114.7023	0.998	6	114.3259	1.318	22	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	113.9048	2.154	28	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	111.9020	2.188	4	111.9020	4.786	4	111.9020	4.786	4	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	109.8057	1.027	3	109.8057	1.054	3	109.8057	1.054	3	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	N(C[5]N[5]2)(CC[6a]HH)(H)	114.9230	1.529	2	114.9230	2.337	2	114.9230	2.337	2	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C[5])(CC[6a]HH)(H)	113.7160	0.000	1	111.6615	7.824	4	111.8292	6.008	5	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]HH)(H)	110.9767	2.987	3	111.6615	7.824	4	111.8292	6.008	5	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CC[6a]HH)(H)	112.5000	0.000	1	112.5000	0.000	1	111.8292	6.008	5	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	113.6790	0.000	1	113.6790	0.000	1	112.6219	2.194	9	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	111.5140	0.000	1	111.5140	0.000	1	112.6219	2.194	9	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	112.2565	2.238	2	112.6291	2.534	7	112.6219	2.194	9	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	114.4330	0.000	1	112.6291	2.534	7	112.6219	2.194	9	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	112.3645	1.459	4	112.6291	2.534	7	112.6219	2.194	9	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[5]C[5]O[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]O[5])(CC[6a]HH)(H)	111.6700	0.000	1	111.6700	0.000	1	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[5]N[5]2)(CC[6a]HH)(H)	112.9780	1.792	5	112.9780	3.211	5	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	115.3840	0.000	1	115.3840	0.000	1	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]HH)(H)	114.4030	0.000	1	114.4030	0.000	1	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]O[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]O[5])(CC[6a]HH)(H)	112.7585	0.667	2	112.7585	0.445	2	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]S[5])(CC[6a]HH)(H)	114.5745	0.766	2	114.5745	0.586	2	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]N[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]HH)(H)	112.3727	0.709	3	112.3727	0.503	3	113.2087	2.136	15	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	111.4200	0.000	1	111.4200	0.000	1	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	114.0160	0.000	1	114.0160	0.000	1	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]HH)(H)	115.6210	0.000	1	115.6210	0.000	1	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	115.6795	0.023	2	115.6795	0.001	2	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)(H)	114.4380	0.000	1	114.4380	0.000	1	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	113.5120	0.123	2	112.7062	2.612	5	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	112.1690	2.033	3	112.7062	2.612	5	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]HH)(H)	115.4450	0.000	1	115.4450	0.000	1	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	112.2580	3.304	2	112.2580	10.914	2	113.5961	3.902	14	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	114.0290	0.000	1	114.0290	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	114.9370	0.000	1	114.9370	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	111.8480	0.000	1	111.8480	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	113.2010	0.000	1	113.2010	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	115.9030	0.000	1	115.9030	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	112.5820	0.000	1	112.3475	1.532	6	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	112.3006	1.378	5	112.3475	1.532	6	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	113.2495	0.248	2	113.5736	2.683	14	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	113.6276	1.773	12	113.5736	2.683	14	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	113.5870	1.085	2	112.8530	3.128	8	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	112.6083	1.964	6	112.8530	3.128	8	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(H)	112.8590	0.000	1	112.8590	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	115.5010	0.000	1	115.5010	0.000	1	113.2919	2.637	35	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.2467	1.368	3	112.2467	1.872	3	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.3190	0.000	1	113.3190	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	114.6230	0.000	1	114.6230	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	115.8830	0.809	3	115.8830	0.655	3	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	113.4680	0.000	1	113.4680	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.4702	1.496	4	112.4702	2.239	4	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	109.4278	0.938	6	109.4278	0.880	6	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	110.8168	1.425	11	110.8168	2.031	11	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.2180	0.000	1	114.2180	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.1390	0.000	1	115.1390	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	115.3250	0.000	1	115.3250	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.9830	2.080	9	112.0582	3.902	10	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.7350	0.000	1	112.0582	3.902	10	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	114.0363	1.112	3	114.0363	1.237	3	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.4616	2.692	5	113.9061	4.036	11	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.2765	1.383	6	113.9061	4.036	11	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.3740	0.000	1	115.3740	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	114.2470	0.000	1	114.2470	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	115.7412	1.023	4	115.7412	1.047	4	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.4230	0.134	2	115.4230	0.018	2	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	114.3600	0.000	1	114.3600	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	110.0710	0.000	1	110.0710	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	110.5850	0.000	1	110.5850	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	109.2400	0.000	1	112.9928	5.337	5	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	115.5140	0.000	1	112.9928	5.337	5	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	113.4033	0.449	3	112.9928	5.337	5	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	113.5297	1.143	3	113.5297	1.307	3	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	113.1252	1.392	9	113.0374	1.710	11	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	112.6420	1.102	2	113.0374	1.710	11	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	109.7473	1.525	3	111.5053	13.912	4	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	116.7790	0.000	1	111.5053	13.912	4	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	113.1060	2.864	4	113.1060	8.204	4	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.4990	1.403	2	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.8740	0.663	2	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	110.0910	0.000	1	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.4477	2.251	43	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	115.0250	0.000	1	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.1060	1.008	2	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.5235	5.723	2	113.4598	5.216	53	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	110.1940	0.000	1	113.3026	3.345	45	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	110.4260	0.000	1	113.3026	3.345	45	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	113.4223	1.765	42	113.3026	3.345	45	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	114.2580	0.000	1	113.3026	3.345	45	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	113.7520	0.000	1	113.7520	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	113.4906	1.669	11	113.8383	2.137	24	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	113.1400	0.000	1	113.8383	2.137	24	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	114.2151	1.271	12	113.8383	2.137	24	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.3820	0.000	1	114.3820	0.000	1	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.0785	2.244	2	113.0785	5.034	2	113.1938	4.506	221	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	110.2250	0.604	2	110.2250	0.365	2	110.2250	0.365	2	113.1305	4.198	311	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-2:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	111.5395	8.799	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	111.5395	8.799	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	115.1270	0.000	1	115.1270	0.000	1	113.2234	0.910	9	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	113.3270	0.000	1	113.3270	0.000	1	113.2234	0.910	9	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	112.7730	0.000	1	112.7730	0.000	1	113.2234	0.910	9	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	113.0247	1.169	3	113.0247	1.366	3	113.2234	0.910	9	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	112.9033	0.377	3	112.9033	0.142	3	113.2234	0.910	9	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	114.0600	0.000	1	114.0600	0.000	1	113.3140	1.113	2	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCO)	112.5680	0.000	1	112.5680	0.000	1	113.3140	1.113	2	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	111.1210	0.000	1	111.1210	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.6560	0.000	1	114.4263	0.208	3	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.3115	0.581	2	114.4263	0.208	3	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.2750	0.000	2	114.2750	0.000	2	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	110.4140	0.000	1	110.4140	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.5210	0.000	1	114.5210	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.9460	0.000	1	114.9460	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	116.3600	0.000	1	116.3600	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	112.2540	0.000	1	112.2540	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	113.7413	1.433	33	113.7413	2.054	33	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	114.4960	0.117	2	114.4960	0.014	2	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	111.9590	0.000	1	111.9590	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	113.3943	0.629	3	113.3943	0.396	3	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	114.8960	0.000	1	114.8960	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	113.6123	1.409	3	113.6123	1.985	3	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	112.0790	0.000	1	112.0790	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	113.0270	1.076	8	113.0270	1.158	8	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	114.9455	1.513	2	114.9455	2.288	2	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	113.4190	0.000	1	113.4190	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	112.3640	0.000	1	112.3640	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	114.1830	0.000	1	114.1830	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	114.7500	0.000	1	114.7500	0.000	1	113.6620	1.926	69	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:P-3:	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NN[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	113.5999	1.834	86	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6,6]Se)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6,6]Se)(CC[6a]HH)2	111.1480	0.537	2	111.1480	0.289	2	111.1480	0.289	2	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]S[4]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]S[4]2)(CC[6a]HH)(CH3)	111.6540	1.529	3	111.6540	2.339	3	111.6540	2.339	3	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	112.7750	2.281	2	112.7750	5.204	2	112.7750	5.204	2	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)2	113.3730	0.081	2	113.3730	0.006	2	113.3730	0.006	2	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	113.8806	1.547	5	113.8806	2.393	5	114.0238	1.039	12	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]HH)2	113.7305	0.747	2	113.7305	0.559	2	114.0238	1.039	12	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	113.8750	0.160	2	113.8750	0.026	2	114.0238	1.039	12	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	114.5570	0.220	3	114.5570	0.048	3	114.0238	1.039	12	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)2	112.3345	0.006	2	112.3345	0.000	2	112.1140	0.282	5	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	111.5805	0.264	2	111.5805	0.070	2	112.1140	0.282	5	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	112.7400	0.000	1	112.7400	0.000	1	112.1140	0.282	5	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(SC[6a]OO)	111.0375	0.238	2	111.0375	0.057	2	110.8187	0.172	3	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	110.3810	0.000	1	110.3810	0.000	1	110.8187	0.172	3	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:B-4:	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(BF3)	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	113.2255	1.911	2	113.2255	3.653	2	112.2159	2.434	7	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	111.1440	0.000	1	111.1440	0.000	1	112.2159	2.434	7	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	111.3540	0.000	1	111.3540	0.000	1	112.2159	2.434	7	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	111.4130	0.000	1	111.4130	0.000	1	112.2159	2.434	7	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]N[6]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]N[6]2)(CC[6a]HH)2	112.5745	2.474	2	112.5745	6.122	2	112.2159	2.434	7	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	111.8465	1.764	2	111.8465	3.113	2	113.3864	3.231	5	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	114.4130	0.976	3	114.4130	0.953	3	113.3864	3.231	5	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	113.4225	0.367	2	113.4225	0.135	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	116.8000	0.000	1	116.8000	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	112.5640	0.000	1	112.5640	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	115.9070	0.000	1	115.9070	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	115.6930	0.136	2	116.2547	0.520	6	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	115.8100	0.000	1	116.2547	0.520	6	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	116.7773	0.683	3	116.2547	0.520	6	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	115.3510	0.000	1	115.3510	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	110.6000	0.000	1	114.4813	12.531	3	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	116.4220	1.570	2	114.4813	12.531	3	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	114.3990	0.642	2	113.7188	4.949	4	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	113.0385	3.548	2	113.7188	4.949	4	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	115.7010	0.000	1	115.7010	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	113.5825	0.097	2	113.5825	0.009	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	114.7450	0.000	1	114.7450	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	117.5330	0.000	1	117.5330	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.8057	1.432	9	113.8057	2.051	9	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	116.1660	0.000	1	116.1660	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	114.2135	2.921	2	114.2135	8.533	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	115.5690	0.501	2	115.5690	0.251	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	115.4170	0.000	1	115.4170	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	114.7933	1.049	42	114.7933	1.099	42	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	114.2885	0.506	2	114.2885	0.256	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	112.7535	0.668	2	112.7535	0.447	2	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	114.8854	1.197	5	114.8854	1.434	5	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	112.6453	1.074	18	112.6453	1.154	18	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	113.1780	0.000	1	113.1780	0.000	1	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)2	114.6545	0.786	2	114.3533	0.808	6	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)2	114.2028	1.025	4	114.3533	0.808	6	114.3530	2.392	115	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	116.2810	0.361	2	116.2810	0.130	2	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	112.1620	0.000	1	112.1620	0.000	1	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	114.2700	0.000	1	114.2700	0.000	1	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	111.4360	0.000	1	111.4360	0.000	1	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	111.8180	0.257	2	111.8180	0.066	2	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	110.9175	1.104	2	110.9175	1.218	2	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	111.7550	0.620	4	111.7550	0.385	4	112.5324	3.641	13	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:Si-4:	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	113.8234	3.027	172	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(O)2	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(O)2	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	114.7370	4.948	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)2	116.2890	1.284	4	116.2890	1.648	4	116.2890	1.648	4	114.7370	4.948	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CHHN)	N(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CHHN){2|C<3>}	N(CC[6a]HH)(O)2	111.8480	0.000	1	111.8480	0.000	1	112.0665	0.095	2	114.7370	4.948	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(O)2	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(O)2	112.2850	0.000	1	112.2850	0.000	1	112.0665	0.095	2	114.7370	4.948	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:2:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CO)(H)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	112.0555	16.217	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:2:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NC)(H)	114.9030	0.000	1	114.9030	0.000	1	114.9030	0.000	1	112.0555	16.217	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	113.3283	0.821	11	113.3283	0.673	11	113.1572	0.741	13	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CNO)(H)	112.2160	0.245	2	112.2160	0.060	2	113.1572	0.741	13	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCO)(H)	110.1630	0.000	1	110.1630	0.000	1	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6]O)(H)	109.6940	0.198	2	109.6940	0.039	2	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	114.0295	0.824	4	114.0295	0.679	4	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCO)(H)	113.7450	0.000	1	113.7450	0.000	1	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[5]O)(H)	113.4400	1.636	3	113.4400	2.678	3	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6]H)(H)	113.1930	2.152	3	113.1930	4.629	3	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	114.9140	1.027	3	114.9140	1.054	3	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(COO)(H)	114.2820	0.000	1	114.2820	0.000	1	113.2409	3.870	18	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[5a]O)(H)	112.5705	0.315	2	112.5705	0.099	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	112.1770	0.000	1	112.1770	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[5a]N)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[5a]N)(H)	112.9170	0.000	1	112.9170	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	114.1737	1.874	3	114.1737	3.512	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]O)(H)	115.4220	0.000	1	115.4220	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(COO)(H)	109.7190	0.000	1	109.7190	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCC)(H)	113.0233	0.574	7	113.0233	0.330	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCO)(H)	110.4323	1.614	6	110.4323	2.604	6	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6]O)(H)	114.3083	0.697	6	114.3083	0.486	6	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]O)(H)	111.2201	1.898	28	111.2244	3.473	29	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	111.3460	0.000	1	111.2244	3.473	29	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CNN)(H)	110.8350	0.000	1	110.8350	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CNS)(H)	109.0005	1.196	2	109.0005	1.430	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(COO)(H)	113.6680	0.000	1	113.6680	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNS)(H)	111.3260	0.000	1	111.3260	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	114.4460	1.109	2	114.4460	1.229	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNS)(H)	113.8500	0.000	1	113.8500	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CC[6a]O)(H)	113.1663	0.703	3	113.1663	0.494	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)(H)	114.7870	0.000	1	114.7870	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCO)(H)	113.4830	0.000	1	112.6009	4.342	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	112.4538	2.242	6	112.6009	4.342	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6]H)(H)	109.3360	0.000	1	110.0798	0.298	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]H)(H)	110.3277	0.281	3	110.0798	0.298	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6]S)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]S)(H)	114.5685	1.216	2	114.5685	1.477	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)(H)	110.2510	0.000	1	110.2510	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CHO)(H)	126.7510	0.000	1	126.7510	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]C)(H)	111.6650	0.000	1	111.6650	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	114.2140	0.000	1	114.2140	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCC)(H)	114.7640	0.000	1	114.7640	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCO)(H)	113.4413	0.572	9	113.4413	0.327	9	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5]O)(H)	110.5080	0.000	1	110.5080	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5a]O)(H)	111.8315	0.848	2	111.8315	0.719	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6]O)(H)	111.1920	0.000	1	111.1920	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	113.4746	1.359	7	113.4746	1.846	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CNO)(H)	111.8770	1.349	3	111.8770	1.819	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CNS)(H)	113.0633	1.021	3	113.0633	1.043	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)(H)	111.8218	2.433	5	111.8218	5.919	5	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCH)(H)	113.3506	1.297	7	113.3506	1.683	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCN)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCN)(H)	111.9200	4.738	2	111.9200	22.445	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCO)(H)	113.7943	1.886	8	113.0978	2.896	135	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCO)(H)	112.2032	1.683	6	113.0978	2.896	135	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	113.0089	1.685	101	113.0978	2.896	135	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	113.5368	1.649	20	113.0978	2.896	135	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCS)(H)	113.5443	1.255	3	113.4466	2.856	5	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CCS)(H)	113.3000	2.864	2	113.4466	2.856	5	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[3]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[3]O)(H)	112.4645	1.428	4	112.4645	2.039	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[4]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[4]O)(H)	112.6890	0.000	1	112.6890	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5,6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5,6]O)(H)	113.9893	0.634	3	113.9893	0.402	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]H)(H)	111.2300	0.000	1	111.2300	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]O)(H)	113.5886	1.529	18	113.6133	2.097	20	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CC[5]O)(H)	113.8365	0.016	2	113.6133	2.097	20	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5a]O)(H)	111.3220	0.000	1	113.6165	3.533	8	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[5a]O)(H)	114.5320	0.000	1	113.6165	3.533	8	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]O)(H)	113.8463	1.914	6	113.6165	3.533	8	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]S)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]S)(H)	113.0343	1.314	4	113.0343	1.726	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]C)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]C)(H)	110.8275	0.057	2	109.6030	4.500	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]C)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CC[6]C)(H)	107.1540	0.000	1	109.6030	4.500	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]H)(H)	113.3575	2.085	2	113.9230	3.134	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6]H)(H)	115.0540	0.000	1	113.9230	3.134	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6]O)(H)	110.6430	0.477	2	112.7648	1.562	17	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]O)(H)	113.0477	1.020	15	112.7648	1.562	17	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]S)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]S)(H)	114.9710	1.434	2	114.9710	2.056	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(H)	112.3164	2.136	7	112.3164	4.562	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	112.6033	1.740	7	112.6441	2.458	87	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	112.0130	0.000	1	112.6441	2.458	87	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	112.6444	1.585	72	112.6441	2.458	87	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	111.2025	0.917	2	112.6441	2.458	87	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	113.3996	1.270	5	112.6441	2.458	87	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]S)(H)	113.9147	0.498	4	113.9147	0.248	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CFeO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CFeO)(H)	114.0460	0.000	1	114.0460	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHN)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHN)(H)	112.1000	0.000	1	112.1000	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CHO)(H)	113.5330	0.000	1	111.7122	1.751	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHO)(H)	111.1053	0.646	3	111.7122	1.751	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHS)(H)	110.9130	0.000	1	110.9130	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CIrO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CIrO)(H)	113.8200	0.000	1	113.8200	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNN)(H)	114.9399	0.593	7	114.9399	0.352	7	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNO)(H)	112.7245	2.335	8	113.3269	3.282	38	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNO)(H)	113.2017	1.710	20	113.3269	3.282	38	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CNO)(H)	112.8325	0.619	2	113.3269	3.282	38	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(CNO)(H)	113.8167	1.989	4	113.3269	3.282	38	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CNO)(H)	114.9155	0.486	4	113.3269	3.282	38	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNS)(H)	112.6270	2.240	2	113.3673	1.924	21	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CNS)(H)	114.5880	0.000	1	113.3673	1.924	21	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNS)(H)	113.2760	1.310	17	113.3673	1.924	21	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CNS)(H)	115.1800	0.000	1	113.3673	1.924	21	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[5]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[5]O)(H)	112.9685	0.384	2	112.9685	0.147	2	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[5a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[5a]O)(H)	113.1740	0.000	1	113.1740	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(COO)(H)	114.9727	0.752	3	114.9727	0.566	3	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(COS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(COS)(H)	110.0340	0.000	1	110.0340	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CSS)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CSS)(H)	110.6970	0.000	1	110.6970	0.000	1	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(H)	112.4745	0.470	4	112.4745	0.221	4	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	112.3690	0.000	1	112.4378	0.692	5	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	112.4550	0.960	4	112.4378	0.692	5	112.8952	3.450	522	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]2)(O)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]2)(O)	109.1980	0.000	1	109.1980	0.000	1	111.4980	5.911	4	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCH)(O)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCH)(O)	114.7840	0.000	1	114.7840	0.000	1	111.4980	5.911	4	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]H)(O)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]H)(O)	111.7660	0.000	1	111.7660	0.000	1	111.4980	5.911	4	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(O)	110.2440	0.000	1	110.2440	0.000	1	111.4980	5.911	4	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N(CC[6a]HH)(CNS)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N(CC[6a]HH)(CNS)(H)	110.4270	0.540	2	110.4270	0.292	2	110.4270	0.292	2	112.8936	3.428	559	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-2:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CNN)(NC)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CNN)(NC)	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	113.4757	3.268	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(OH)	113.7440	2.471	2	113.7440	6.104	2	113.7440	6.104	2	113.4757	3.268	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]O)2	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCO)(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCO)(COO)	112.1940	0.000	1	112.1940	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	112.9260	0.485	2	112.9260	0.235	2	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)2	112.6580	0.000	1	112.6580	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)2	113.4530	0.000	1	113.4530	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCH)	112.0330	0.000	1	112.0330	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCC)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)(CCO)	113.7990	0.000	1	113.7990	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCH)(CHO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCH)(CHO)	112.4538	0.635	5	112.4538	0.403	5	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCO)2	113.6780	0.987	2	113.8936	0.754	5	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)2	114.0373	0.971	3	113.8936	0.754	5	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5,6]H)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5,6]H)(CCO)	114.2500	0.000	1	114.2500	0.000	1	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	113.1975	1.049	6	113.1975	1.100	6	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCC)	114.6405	1.125	2	114.6405	1.266	2	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)2	111.0655	0.534	2	111.0655	0.285	2	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[6]O)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[6]O)(CCO)	111.7605	0.552	2	111.7605	0.305	2	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CPdO)(CNO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CPdO)(CNO)	114.3130	0.338	2	114.3130	0.114	2	113.0850	1.333	32	113.0863	1.292	33	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CC[6]O)(CCHH)	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CC[6]O)(CCHH)	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:C-4:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(BC[6a]2)(CCCH)	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCHH)	112.7170	0.000	1	112.7170	0.000	1	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[3]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[3]O)(CCCH)	114.5013	0.771	3	114.5013	0.594	3	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[3]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[3]O)(CCHH)	112.7152	1.357	4	112.7152	1.841	4	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]O)(CCHH)	114.5580	0.168	2	114.5580	0.028	2	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]O)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]O)(CH3)	113.7300	0.000	1	113.7300	0.000	1	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]O)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]O)(CH3)	111.6430	0.000	1	111.6430	0.000	1	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)(CCHH)	113.4910	0.000	1	113.4910	0.000	1	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCHH)	114.1865	1.220	4	114.1865	1.487	4	113.6358	1.537	17	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	113.4755	2.073	20	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(H)	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCCH)(H)	109.8850	0.000	1	109.8850	0.000	1	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	127.7350	0.000	1	127.7350	0.000	1	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CC)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]HH)(H)	110.8435	0.097	2	110.8435	0.009	2	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	110.8380	0.778	2	112.5655	5.567	8	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	113.1413	2.466	6	112.5655	5.567	8	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)2(H)	112.3150	0.000	1	112.3150	0.000	1	113.2420	23.027	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(H)	113.7856	0.787	5	113.7856	0.619	5	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PO3)(H)	113.0270	0.000	1	113.0270	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6]Fe2)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6]Fe2)(H)	111.3330	0.000	1	111.3330	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]2O)(H)	112.9230	0.000	1	112.9230	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PN3)(H)	115.2180	0.000	1	115.2180	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(H)	114.7350	0.293	2	114.7350	0.086	2	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNS)(H)	110.8240	0.000	1	110.8240	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PO3)(H)	112.5390	0.000	1	112.5390	0.000	1	113.4048	1.849	13	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	114.6540	0.000	1	114.6540	0.000	1	112.3990	4.984	5	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	112.0790	3.328	2	112.0790	11.073	2	112.3990	4.984	5	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SNOO)(H)	111.5915	1.507	2	111.5915	2.271	2	112.3990	4.984	5	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|N<3>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	112.4250	0.000	1	112.4250	0.000	1	110.9740	1.623	3	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	110.4570	0.000	1	110.4570	0.000	1	110.9740	1.623	3	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	110.0400	0.000	1	110.0400	0.000	1	110.9740	1.623	3	113.0899	10.383	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCHH)(NO)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(NO)	113.9430	0.000	1	113.9430	0.000	1	113.9742	1.297	5	112.3200	5.534	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(NC)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(NC)	113.9820	1.315	4	113.9820	1.730	4	113.9742	1.297	5	112.3200	5.534	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(OC)	109.6520	0.000	1	109.6520	0.000	1	110.6658	4.312	5	112.3200	5.534	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(OC)	110.9193	2.307	4	110.9193	5.321	4	110.6658	4.312	5	112.3200	5.534	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	N(CC[6a]HH)(SC[6a]OO)(CCH)	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5]-4:C-4:C-3:	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(C[5]C[5]2Fe)(CC[6a]HH)(CRhN)	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(C[5]C[5]2Fe)(CC[6a]HH)(CRhN)	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	114.3080	0.000	1	114.3080	0.000	1	113.8035	0.509	2	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	113.2990	0.000	1	113.2990	0.000	1	113.8035	0.509	2	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:B-3:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(BClFe)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(BClFe)	114.5307	1.132	4	114.5307	1.282	4	114.5307	1.282	4	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)2(CSS)	113.1210	0.000	1	113.1210	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CCO)	110.8860	0.000	1	110.8860	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)2(CCO)	112.6860	1.954	2	112.6860	3.820	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CCO)	114.4290	0.000	1	114.4290	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(COO)	114.4340	0.000	1	114.4340	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(CCO)	110.8340	0.000	1	110.8340	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)2(CCO)	111.6200	0.000	1	112.9462	7.008	5	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)2(CCO)	111.9110	0.000	1	112.9462	7.008	5	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCO)	113.7333	3.416	3	112.9462	7.008	5	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CCO)	113.7760	0.000	1	113.7760	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCO)	112.6525	2.256	2	112.6525	5.091	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CCCH)(CCO)	114.0700	0.381	4	114.0700	0.145	4	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CNS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]HH)(CCHH)(CNS)	113.3920	0.000	1	113.3920	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(CSS)	113.2890	0.058	2	113.2890	0.003	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(CCO)	114.0390	0.522	6	114.0390	0.273	6	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[5a]HH)(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[5a]HH)(CC[6a]HH)(CSS)	114.2955	1.303	2	114.2955	1.698	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(CCN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(CCN)	111.5315	1.901	2	111.5315	3.615	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]HH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5]HH)(CSS)	114.0750	0.000	1	114.0750	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CH3)(CCN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CH3)(CCN)	112.3880	0.000	1	112.3880	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)2(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)2(CSS)	114.9459	1.111	7	114.9459	1.234	7	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]CH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]CH)(CC[6a]HH)(CCO)	113.6080	0.000	1	113.6080	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	114.1810	0.000	1	114.1810	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]HH)(CSS)	114.3878	0.352	5	114.3878	0.124	5	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	111.7400	0.000	1	111.7400	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC3)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC3)(CCO)	116.0880	0.126	3	116.0880	0.016	3	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC3)(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC3)(COO)	116.3750	1.376	2	116.3750	1.893	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CCO)	113.9765	1.400	8	113.9765	1.960	8	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(COO)	115.8445	1.944	2	115.8445	3.779	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CSS)	115.4470	0.000	1	115.4470	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CCO)	112.7843	1.505	34	112.7843	2.266	34	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CHN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CHN)	111.7340	0.000	1	111.7340	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CNN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CNN)	109.5780	0.000	1	109.5780	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CNO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CNO)	112.0690	0.000	1	112.0690	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CSS)	114.0150	1.391	4	114.0150	1.934	4	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)(CCO)	113.7317	2.340	3	113.7317	5.478	3	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)(CNS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)(CNS)	114.5670	0.000	1	114.5670	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]CH)(CNO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]CH)(CNO)	113.2700	0.000	1	113.2700	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CCO)	109.8030	0.000	1	109.8030	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(COO)	114.7640	0.000	1	114.7640	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(CNN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(CNN)	111.6260	0.000	1	111.6260	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(CNO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(CNO)	111.5700	0.000	1	111.5700	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(COS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(COS)	112.0160	0.000	1	112.0160	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(CSS)	112.3362	1.009	6	112.3362	1.019	6	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHN)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CHHN)(CCO)	115.4790	0.000	1	115.4790	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCN)	113.4263	1.236	6	113.4263	1.529	6	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCO)	111.6590	0.000	1	113.1979	2.100	16	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCO)	113.3005	1.439	15	113.1979	2.100	16	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCS)	113.1415	0.067	2	113.1415	0.005	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6,6]O)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6,6]O)	113.1705	0.655	2	113.1705	0.430	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6]S)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6]S)	112.8070	0.728	2	112.8070	0.530	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6a]H)	113.2505	0.660	2	113.2505	0.435	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6a]O)	113.6575	1.568	2	113.6575	2.458	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CGeSe)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CGeSe)	112.8310	1.202	2	112.8310	1.445	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CNN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CNN)	113.2827	1.396	4	113.2827	1.949	4	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CNO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CNO)	113.1578	1.412	6	113.1578	1.994	6	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CNS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CNS)	112.3188	1.715	32	112.3188	2.942	32	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(COO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(COO)	113.0925	0.158	2	113.0925	0.025	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CSS)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CSS)	113.1379	0.813	20	113.1379	0.661	20	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CSeC)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CSeC)	111.7107	1.356	4	111.7107	1.839	4	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CSeH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CSeH)	112.3810	0.618	2	112.3810	0.382	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CSeSi)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CSeSi)	112.7995	1.416	2	112.7995	2.006	2	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]PdH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]PdH)(CC[6a]HH)(CCO)	113.9080	0.000	1	113.9080	0.000	1	113.1553	2.480	230	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]CH)(CC[6a]HH)(NOO)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]CH)(CC[6a]HH)(NOO)	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-3:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(PNN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PNN)	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	118.1650	0.000	1	118.1650	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	112.7200	0.000	1	112.7200	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[5a]OO)(COO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[5a]OO)(COO)	114.4500	0.000	1	114.4500	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCC)	111.1290	0.962	4	111.1290	0.925	4	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCF)	111.3480	1.045	2	111.3480	1.092	2	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCH)	113.2083	0.602	3	113.2083	0.362	3	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCN)	112.3295	2.691	2	112.3295	7.239	2	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCO)	114.2377	0.764	7	114.2377	0.584	7	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	113.4970	1.342	2	113.4970	1.801	2	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	113.4330	0.000	1	113.4330	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	110.8440	0.000	1	110.8440	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	111.0230	0.000	1	111.0230	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CClC)	112.5500	0.000	1	112.5500	0.000	1	113.0126	3.332	27	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	114.3675	0.655	2	114.3675	0.430	2	114.6347	0.429	3	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	115.1690	0.000	1	115.1690	0.000	1	114.6347	0.429	3	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:B-3:	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.2071	2.541	273	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,3|C<3>}	N(CC[6a]HH)(SC[6a]OO)2	115.4130	0.000	1	115.4130	0.000	1	115.4130	0.000	1	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PN3)	112.3560	0.000	1	112.3560	0.000	1	113.5051	1.450	15	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(PNOO)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(PNOO)	114.8210	0.000	1	114.8210	0.000	1	113.5051	1.450	15	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PHNN)	113.8275	1.384	2	113.8275	1.915	2	113.5051	1.450	15	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PNNO)	113.5366	1.290	9	113.5366	1.663	9	113.5051	1.450	15	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(PO3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PO3)	112.9575	1.098	2	112.9575	1.206	2	113.5051	1.450	15	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(SCOO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(SCOO)	113.9650	0.000	1	113.9650	0.000	1	113.3127	0.955	3	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SC[6a]OO)	112.9865	1.128	2	112.9865	1.272	2	113.3127	0.955	3	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(CH3)	112.8447	1.398	9	112.8447	1.954	9	112.8447	1.954	9	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:S-4:	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6]2Rh)(SRhCO)	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6]2Rh)(SRhCO)	115.4510	0.731	2	115.4510	0.535	2	115.4510	0.535	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCCH)	110.8620	0.000	1	110.8620	0.000	1	111.0370	0.061	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	111.2120	0.000	1	111.2120	0.000	1	111.0370	0.061	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SCOO)2	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SCOO)2	113.5140	0.000	1	113.5140	0.000	1	112.5725	1.773	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)2	111.6310	0.000	1	111.6310	0.000	1	112.5725	1.773	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5,6]O[5,6]C[5]N[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5,6]O[5,6]C[5]N[6])(CC[6a]HH)(SC[6a]OO)	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	112.2550	0.000	1	112.2550	0.000	1	113.3486	0.813	5	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	114.2240	0.298	2	114.2240	0.089	2	113.3486	0.813	5	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	113.0200	0.465	2	113.0200	0.216	2	113.3486	0.813	5	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(PC[6a]2Fe)2(CC[6a]HH)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(PC[6a]2Fe)2(CC[6a]HH)	117.5020	0.000	1	117.5020	0.000	1	115.7215	6.340	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Ni)2(CC[6a]HH)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Ni)2(CC[6a]HH)	113.9410	0.000	1	113.9410	0.000	1	115.7215	6.340	2	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	113.1295	0.857	4	113.1295	0.734	4	113.1295	0.734	4	113.3960	1.982	47	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.0765	1.872	2	111.0765	3.503	2	110.9857	1.241	4	110.2735	2.079	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.2010	0.000	1	111.2010	0.000	1	110.9857	1.241	4	110.2735	2.079	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.5890	0.000	1	110.5890	0.000	1	110.9857	1.241	4	110.2735	2.079	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO){2|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	110.2735	2.079	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	110.2735	2.079	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	112.4490	7.719	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHNS)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	113.5113	2.193	3	113.5113	4.808	3	113.5113	4.808	3	112.4490	7.719	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	112.4527	0.132	3	112.4527	0.017	3	112.4527	0.017	3	112.1417	1.310	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	N(CC[6a]HO)(CC[6a]O)(H)	110.9000	0.000	1	110.9000	0.000	1	111.1437	0.149	3	112.1417	1.310	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	N(CC[6a]HO)(COO)(H)	110.9420	0.000	1	110.9420	0.000	1	111.1437	0.149	3	112.1417	1.310	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|N<2>,2|H<1>}	N(CC[6a]HO)(CC[6a]O)(H)	111.5890	0.000	1	111.5890	0.000	1	111.1437	0.149	3	112.1417	1.310	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(SC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS)	N(CC[6a]HS)(COO)(H)	C(C[6a]C[6a]2)(NCH)(SC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS){1|C<3>,2|H<1>}	N(CC[6a]HS)(COO)(H)	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	112.1417	1.310	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	N(CC[6a]HO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	N(CC[6a]HO)(CC[6a]O)(CH3)	111.6830	0.000	1	111.6830	0.000	1	109.1663	4.752	3	109.2713	3.212	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	N(CC[6a]HO)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	N(CC[6a]HO)(CC[6a]O)(CCHH)	107.8700	0.000	1	107.8700	0.000	1	109.1663	4.752	3	109.2713	3.212	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	N(CC[6a]HO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	N(CC[6a]HO)(CC[6a]O)(CH3)	107.9460	0.000	1	107.9460	0.000	1	109.1663	4.752	3	109.2713	3.212	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS)	N(CC[6a]HS)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS){2|H<1>,3|C<3>}	N(CC[6a]HS)(CC[6a]O)(CH3)	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.2713	3.212	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCC)	108.8437	0.306	3	108.8437	0.094	3	108.8437	0.094	3	108.9952	0.154	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	108.9952	0.154	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	109.7080	0.000	1	110.2700	0.632	2	110.3060	3.539	4	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	110.8320	0.000	1	110.2700	0.632	2	110.3060	3.539	4	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	110.3420	3.159	2	110.3420	9.982	2	110.3060	3.539	4	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[5a]N[5a]S[5a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HN)(H)	111.7075	1.483	2	111.7075	2.199	2	111.7075	2.199	2	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HN)(H)	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	107.6370	0.000	1	107.6370	0.000	1	111.2564	4.622	9	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	112.7905	1.657	2	112.7905	2.745	2	111.2564	4.622	9	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	111.0145	1.371	2	111.0145	1.880	2	111.2564	4.622	9	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HN)(H)	111.5153	2.173	4	111.5153	4.720	4	111.2564	4.622	9	111.0562	3.551	16	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(CC[6a]HN)(CCO)(H)	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CCO)(H)	110.1810	0.000	1	110.1810	0.000	1	110.2450	0.008	2	110.2450	0.008	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(CC[6a]HN)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CNO)(H)	110.3090	0.000	1	110.3090	0.000	1	110.2450	0.008	2	110.2450	0.008	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	114.2180	0.000	1	114.2180	0.000	1	111.5625	14.103	2	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	108.9070	0.000	1	108.9070	0.000	1	111.5625	14.103	2	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.5327	1.166	4	113.5327	1.360	4	113.5327	1.360	4	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	112.9750	0.000	1	112.9750	0.000	1	113.0957	0.560	3	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	113.8970	0.000	1	113.8970	0.000	1	113.0957	0.560	3	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	112.4150	0.000	1	112.4150	0.000	1	113.0957	0.560	3	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.6520	0.000	1	113.6520	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	113.1840	0.000	1	113.1840	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.8460	0.000	1	109.8460	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.6350	0.000	1	109.6350	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.3575	1.085	2	108.3575	1.178	2	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.9850	0.000	1	111.9850	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.2360	0.000	1	114.2360	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.0210	0.000	1	113.0210	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.6505	0.636	2	113.6505	0.404	2	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	107.8570	0.000	1	107.8570	0.000	1	111.4527	6.140	12	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]F)2(CHNN)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]F)2(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	112.1940	1.202	2	112.1940	1.445	2	111.7099	4.579	8	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	111.6540	2.783	4	111.6540	7.744	4	111.7099	4.579	8	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HN)(H)	111.3375	2.572	2	111.3375	6.614	2	111.7099	4.579	8	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	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(C[5a]N[5a]S[5a])(CC[6a]N[6]H)(H)	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(C[5a]N[5a]S[5a])(CC[6a]N[6]H)(H)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	111.8967	4.754	31	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	104.6200	0.000	1	104.6200	0.000	1	104.6200	0.000	1	104.6200	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	112.0630	0.000	1	112.0630	0.000	1	111.8245	0.114	2	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	111.5860	0.000	1	111.5860	0.000	1	111.8245	0.114	2	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	111.7390	0.000	1	111.7390	0.000	1	113.1772	3.836	9	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	113.6810	0.000	1	113.6810	0.000	1	113.1772	3.836	9	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	111.5110	1.543	3	111.5110	2.382	3	113.1772	3.836	9	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	112.8710	0.000	1	112.8710	0.000	1	113.1772	3.836	9	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	115.2570	1.049	3	115.2570	1.100	3	113.1772	3.836	9	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	109.1000	0.000	1	109.1000	0.000	1	109.3273	0.550	3	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]CH)(CCO)	109.4410	1.011	2	109.4410	1.022	2	109.3273	0.550	3	112.2591	4.829	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	118.9630	0.000	1	118.9630	0.000	1	115.9920	12.905	10	115.6781	12.698	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	119.4705	0.442	4	119.4705	0.195	4	115.9920	12.905	10	115.6781	12.698	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	112.6150	0.572	5	112.6150	0.327	5	115.9920	12.905	10	115.6781	12.698	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	115.6781	12.698	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-3:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CNO)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	N(CC[6a]CF)(O)2	C(C[6a]C[6a]2)(CNO)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN){1|C<3>,2|H<1>}	N(CC[6a]CF)(O)2	108.5475	0.596	2	108.5475	0.355	2	108.5475	0.355	2	108.5475	0.355	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:2:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:H-1:	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NC[5a])(H)	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NC[5a])(H)	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]O)(H)	108.2880	0.000	1	108.2880	0.000	1	111.3180	7.081	3	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]O)(H)	113.2750	0.000	1	113.2750	0.000	1	111.3180	7.081	3	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(COO)(H)	112.3910	0.000	1	112.3910	0.000	1	111.3180	7.081	3	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	113.8540	0.000	1	113.8540	0.000	1	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	108.4210	0.000	1	108.4210	0.000	1	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	115.4560	0.000	1	115.4560	0.000	1	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	114.9040	0.379	2	114.9040	0.144	2	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN){2|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	114.7600	0.000	1	114.7600	0.000	1	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	109.9070	0.000	1	109.9070	0.000	1	113.1723	7.930	7	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[5]O)(H)	113.5180	1.312	2	113.5180	1.722	2	113.5180	1.722	2	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.7400	0.354	2	112.7400	0.125	2	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN){2|C<3>}	N(CC[6a]CH)(CCO)(H)	113.8760	0.000	1	113.8760	0.000	1	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	111.5260	0.000	1	111.5260	0.000	1	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.4485	2.328	4	112.4485	5.420	4	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCC)(H)	113.0440	0.000	1	113.0440	0.000	1	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	113.1310	1.175	4	113.1310	1.380	4	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]O)(H)	111.7023	1.100	6	111.7023	1.209	6	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	113.9720	0.431	2	113.9720	0.186	2	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	113.1292	0.890	6	113.1292	0.793	6	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.4085	1.073	2	113.3627	0.582	3	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(COO)(H)	113.2710	0.000	1	113.3627	0.582	3	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CSiC)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CSiC)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	109.6250	0.000	1	109.6250	0.000	1	112.6739	1.894	31	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]O)(H)	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN){2|C<3>,2|N<2>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN)	N(CC[6a]C[6]H)(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN){1|C<3>,1|C<4>}	N(CC[6a]C[6]H)(CCO)(H)	111.8870	1.257	2	111.8870	1.581	2	111.8870	1.581	2	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	111.4465	1.375	2	111.4465	1.892	2	111.4465	1.892	2	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	N(CC[6a]2H)(CCO)(H)	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CCC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CCC)(H)	110.4860	0.000	1	110.4860	0.000	1	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CCO)(H)	111.2241	0.956	7	111.2241	0.914	7	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]O)(H)	114.0060	0.000	1	114.0060	0.000	1	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CNO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CNO)(H)	111.6480	0.000	1	111.6480	0.000	1	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(COO)(H)	111.6100	0.000	1	111.6100	0.000	1	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN){1|H<1>,3|C<3>}	N(CC[6a]2H)(CCO)(H)	110.6860	0.000	1	110.6860	0.000	1	111.4171	1.267	12	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCO)(H)	110.2320	0.000	1	110.2320	0.000	1	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCO)(H)	109.7845	0.668	2	109.7845	0.447	2	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCC)(H)	112.1970	0.000	1	112.1970	0.000	1	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]2H)(CCO)(H)	112.4745	0.821	2	112.4068	0.826	6	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]2H)(CCO)(H)	112.9180	0.000	1	112.4068	0.826	6	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCO)(H)	112.1913	1.234	3	112.4068	0.826	6	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]O)(H)	107.9770	0.000	1	107.9770	0.000	1	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CNO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CNO)(H)	111.1850	0.000	1	111.1850	0.000	1	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(COO)(H)	110.5270	0.000	1	110.5270	0.000	1	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]N)(H)	112.0660	2.339	2	112.0660	5.471	2	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6]H)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6]H)(H)	109.2485	0.964	4	109.2485	0.929	4	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|Br<1>,2|C<3>}	N(CC[6a]2H)(CCO)(H)	111.0158	0.877	6	111.4446	1.377	20	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCO)(H)	110.9542	1.382	6	111.4446	1.377	20	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCO)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|H<1>,2|C<3>}	N(CC[6a]2H)(CCO)(H)	112.1339	0.958	8	111.4446	1.377	20	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[5]O)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[5]O)(H)	111.3450	3.146	4	111.3450	9.895	4	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6]O)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6]O)(H)	111.3515	1.148	2	111.3515	1.317	2	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6]S)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6]S)(H)	109.0365	2.375	2	109.0365	5.641	2	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CHO)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CHO)(H)	110.6978	2.079	6	110.6978	4.323	6	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CPdN)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CPdN)(H)	110.8205	2.080	2	110.8205	4.325	2	111.0569	2.874	55	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	N(CC[6a]2H)(SCO)(H)	112.2700	0.000	1	112.2700	0.000	1	110.8435	3.456	4	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	112.6260	0.000	1	112.6260	0.000	1	110.8435	3.456	4	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	109.3010	0.000	1	109.3010	0.000	1	110.8435	3.456	4	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2H)(SCO)(H)	109.1770	0.000	1	109.1770	0.000	1	110.8435	3.456	4	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	N(CC[6a]N[5]H)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(CNO)(H)	115.3520	0.000	1	115.3520	0.000	1	113.8367	1.815	3	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	N(CC[6a]N[5]H)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(COO)(H)	113.0790	0.430	2	113.0790	0.185	2	113.8367	1.815	3	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	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(CC[6a]N[6]H)(CNO)(H)	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(CC[6a]N[6]H)(CNO)(H)	111.9500	0.682	2	111.9500	0.465	2	111.9500	0.465	2	111.7962	3.291	127	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]HN){2|H<1>,3|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	113.5235	2.937	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCC)(NCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)(CCO)	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	113.5235	2.937	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)(NCC)	C(C[6a]C[6a]2)(CCH)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(NCC)	113.8970	0.935	2	113.8970	0.874	2	113.8970	0.874	2	113.5235	2.937	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	110.9050	0.694	3	110.9050	0.482	3	110.9050	0.482	3	110.8231	0.914	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)(CCHH)	111.2630	1.014	2	111.2630	1.028	2	111.2630	1.028	2	110.8231	0.914	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCHH)	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	110.8231	0.914	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[3]O)(CCHH)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[3]O)(CCHH)	110.9303	1.041	4	110.9303	1.083	4	110.9303	1.083	4	110.8231	0.914	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3: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(CC[6a]N[6]H)(CC[6a]O)(CH3)	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(CC[6a]N[6]H)(CC[6a]O)(CH3)	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	110.8231	0.914	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(SC[6a]OO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(SC[6a]OO)(H)	112.7305	0.477	2	112.7305	0.228	2	112.7305	0.228	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCC)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a,6a]C[6a])(CCC)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.7560	0.144	2	114.7560	0.021	2	114.7560	0.021	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]3)(H)	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]3)(H)	117.0605	3.282	2	117.0605	10.769	2	117.0605	10.769	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	109.6280	0.000	1	109.6280	0.000	1	111.7087	3.391	3	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.1290	0.000	1	113.1290	0.000	1	111.7087	3.391	3	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.3690	0.000	1	112.3690	0.000	1	111.7087	3.391	3	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	110.6730	0.000	1	110.6730	0.000	1	110.7625	0.016	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	110.8520	0.000	1	110.8520	0.000	1	110.7625	0.016	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:H-1:	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(PC[6a]2Se)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]2H)(H)	111.5765	0.237	2	111.5765	0.056	2	111.5765	0.056	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NP[5]H)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[5]N[5]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NP[5]H)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[5]N[5]2O)(CC[6a]CH)(H)	113.1760	0.031	2	113.1760	0.001	2	113.1760	0.001	2	113.0167	5.449	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(CC3)(ONi)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(CC3)(ONi)	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	114.1240	0.000	1	114.1240	0.000	1	114.1240	0.000	1	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(COO)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(CC[6a]CH)(CCHH)(COO)	112.6120	0.000	1	112.6120	0.000	1	111.0165	5.091	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]CH)(CCHH)(CCO)	109.4210	0.000	1	109.4210	0.000	1	111.0165	5.091	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN){2|C<3>}	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	116.1330	0.000	1	116.1330	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)2(CC[6a]O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)2(CC[6a]O)	110.7540	0.000	1	110.7540	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN)	N(CC[6a]CH)(CCCH)(CCO)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(CCO)	112.6290	0.000	1	112.6290	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CCHH)(CCO)	111.5920	0.000	1	111.5920	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	112.9060	0.000	1	112.9060	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(COO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]O)	C(C[6a]C[6a]2)(COO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]O)	112.5270	0.000	1	112.5270	0.000	1	112.7568	3.372	6	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:P-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN)	N(CC[6a]2H)(CCCH)(POO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN){1|H<1>,4|C<3>}	N(CC[6a]2H)(CCCH)(POO)	113.8920	0.440	2	113.8920	0.193	2	113.8920	0.193	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN){2|C<3>}	N(CC[6a]2H)(CC[6a]CH)(CCO)	114.2145	1.647	2	114.2145	2.712	2	112.0874	2.453	20	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCHH)(CCO)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)(CCO)	111.6941	1.254	16	111.6941	1.573	16	112.0874	2.453	20	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(CCO)	113.1075	2.586	2	113.1075	6.687	2	112.0874	2.453	20	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCCH)(POO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	N(CC[6a]2H)(CCCH)(POO)	111.3960	0.219	2	111.3960	0.048	2	111.3960	0.048	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(COO)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2H)(SC[6a]OO)(COO)	114.4160	0.000	1	114.4160	0.000	1	114.9970	0.675	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(COO)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]2H)(SC[6a]OO)(COO)	115.5780	0.000	1	115.5780	0.000	1	114.9970	0.675	2	112.4291	2.909	35	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN)	N(CC[5a]C[6a]H)(CCHH)(SCOO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CCHH)(SCOO)	113.4430	0.000	1	113.4430	0.000	1	113.4430	0.000	1	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(SC[6a]OO)(CCCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(SC[6a]OO)(CCCH)	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(CC[6a]CH)(SC[6a]OO)(CCHH)	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CC[3]HH)	C(C[6a]C[6a]2)(CCO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CC[3]HH)	113.4890	0.000	1	113.4890	0.000	1	113.4890	0.000	1	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	N(CC[6a]2H)(SC[6a]OO)(CH3)	111.0740	0.000	1	111.0740	0.000	1	112.3830	1.307	4	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(CCHH)	113.4990	0.000	1	113.4990	0.000	1	112.3830	1.307	4	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	N(CC[6a]2H)(SC[6a]OO)(CCHH)	111.7930	0.000	1	111.7930	0.000	1	112.3830	1.307	4	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(CH3)	113.1660	0.000	1	113.1660	0.000	1	112.3830	1.307	4	112.5962	1.096	8	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CN)	N(CC[6a]C[6]C)(COO)(NCC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CN){1|C<3>,2|H<1>}	N(CC[6a]C[6]C)(COO)(NCC)	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.5435	0.009	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(COO)(NCH)	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(COO)(NCH)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.5435	0.009	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CH3)(COO)	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CH3)(COO)	112.4150	0.707	2	112.4150	0.500	2	112.4150	0.500	2	112.4150	0.500	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:2:4:	4:1:1:	C[6a]-3:N-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(NOO)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3)	N(CC[6a]NN)(O)2	C(C[6a]C[6a]N[6a])(NOO)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3){1|C<3>,2|H<1>}	N(CC[6a]NN)(O)2	112.5093	3.321	3	112.5093	11.032	3	112.5093	11.032	3	112.5093	11.032	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:2:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])3(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])3(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	108.3397	1.738	3	108.3397	3.022	3	108.3397	3.022	3	108.3397	3.022	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]3)(H)	108.7111	2.581	18	108.7111	6.661	18	108.7111	6.661	18	108.7340	6.479	30	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	108.7242	3.006	6	108.7242	9.036	6	108.7242	9.036	6	108.7340	6.479	30	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P[4]-3:C-4:H-1:	C(C[6a]C[6a]2)3(NP[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(P[4]N[4]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NP[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(P[4]N[4]2)(CC[6a]3)(H)	108.8123	2.427	6	108.8123	5.888	6	108.8123	5.888	6	108.7340	6.479	30	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	110.5760	1.843	4	110.5760	3.398	4	110.5760	3.398	4	110.5760	3.398	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[5a]H)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[5a]H)(H)	108.3300	2.358	3	108.3300	5.561	3	108.3459	8.120	84	108.3273	7.696	90	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[6]O)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6]O)(H)	108.4630	3.117	3	108.4630	9.714	3	108.3459	8.120	84	108.3273	7.696	90	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	108.3659	3.230	42	108.3659	10.433	42	108.3459	8.120	84	108.3273	7.696	90	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CNS)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CNS)(H)	108.3141	2.482	36	108.3141	6.158	36	108.3459	8.120	84	108.3273	7.696	90	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(PCl2)(H)	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(PCl2)(H)	108.0680	1.453	6	108.0680	2.111	6	108.0680	2.111	6	108.3273	7.696	90	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[5a]O)(CCHH)	C(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[5a]O)(CCHH)	108.9737	1.989	3	108.9737	3.954	3	108.9737	3.954	3	108.9737	3.954	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CCHH)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CCHH)(H)	108.6007	1.936	3	108.6007	3.747	3	108.7377	2.984	9	108.8083	3.426	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]CH)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]3)(H)	108.8062	1.805	6	108.8062	3.259	6	108.7377	2.984	9	108.8083	3.426	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:H-1:	C(C[6a]C[6a]2)3(NSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(SiC3)(H)	C(C[6a]C[6a]2)3(NSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(SiC3)(H)	109.0577	2.289	3	109.0577	5.240	3	109.0577	5.240	3	108.8083	3.426	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:H-1:	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(PC[6a]2Se)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]3)(H)	108.7710	2.586	3	108.7710	6.687	3	108.7710	6.687	3	108.8083	3.426	15	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	2:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.0410	0.000	1	114.0410	0.000	1	111.4373	8.873	3	111.4373	8.873	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.1890	0.000	1	110.1355	7.578	2	111.4373	8.873	3	111.4373	8.873	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.0820	0.000	1	110.1355	7.578	2	111.4373	8.873	3	111.4373	8.873	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN){1|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	113.2965	0.764	2	113.2965	0.584	2	113.2965	0.584	2	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]CH)(H)	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	111.0780	1.764	2	111.0780	3.110	2	112.3645	3.506	4	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	114.2790	0.000	1	114.2790	0.000	1	112.3645	3.506	4	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	113.0230	0.000	1	113.0230	0.000	1	112.3645	3.506	4	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.8570	0.000	1	110.8570	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.9750	0.000	1	112.5500	0.147	3	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.3375	0.153	2	112.5500	0.147	3	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.3780	0.000	1	114.3780	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.1620	0.000	1	114.1620	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.7690	0.000	1	112.7690	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.6640	0.000	1	111.4092	4.807	10	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.3809	2.324	9	111.4092	4.807	10	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	112.4460	0.000	1	112.4460	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.0955	0.531	2	114.0955	0.282	2	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.6043	0.805	3	114.6043	0.648	3	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	105.4570	0.000	1	105.4570	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.5680	0.000	1	109.5680	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.9865	0.674	2	112.9865	0.454	2	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	114.5940	0.000	1	114.5940	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.4202	0.939	6	113.4202	0.882	6	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	110.8597	2.461	10	110.8597	6.054	10	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	116.1250	0.000	1	116.1250	0.000	1	112.2043	5.638	45	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(C[5]N[5]O[5])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(CC[6a]HP)(H)	113.6470	0.000	1	113.6470	0.000	1	113.6470	0.000	1	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	113.4983	1.409	6	113.4983	1.986	6	113.4983	1.986	6	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HP)(H)	112.7090	0.000	1	112.7090	0.000	1	112.7090	0.000	1	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	110.9980	0.000	1	110.9980	0.000	1	114.3707	2.151	9	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	113.9020	0.000	1	113.9020	0.000	1	114.3707	2.151	9	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	114.9194	0.764	7	114.9194	0.584	7	114.3707	2.151	9	112.6874	4.820	70	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	112.5050	1.410	4	112.5050	1.987	4	111.9510	2.465	9	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	110.4105	0.330	2	110.4105	0.109	2	111.9510	2.465	9	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	110.8500	0.000	1	110.8500	0.000	1	111.9510	2.465	9	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	111.4290	0.000	1	111.4290	0.000	1	111.9510	2.465	9	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	114.4390	0.000	1	114.4390	0.000	1	111.9510	2.465	9	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-3:C-4:P-3:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[5]O[5]2)(CC[6a]CH)(PC[6a]C)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[5]O[5]2)(CC[6a]CH)(PC[6a]C)	112.4720	0.052	2	112.4720	0.003	2	112.4720	0.003	2	112.0457	2.016	11	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[3]C[3]2)(CC[6a]CH)2	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[3]C[3]2)(CC[6a]CH)2	111.0665	1.015	8	111.0665	1.030	8	111.0665	1.030	8	111.2296	1.390	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	113.3900	0.000	1	113.3900	0.000	1	110.9680	4.470	3	111.2296	1.390	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	109.7570	0.375	2	109.7570	0.140	2	110.9680	4.470	3	111.2296	1.390	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	112.0060	0.054	2	112.0060	0.003	2	111.9260	0.021	3	111.2296	1.390	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	111.7660	0.000	1	111.7660	0.000	1	111.9260	0.021	3	111.2296	1.390	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	109.5370	0.000	1	109.5370	0.000	1	108.8243	0.381	3	108.8243	0.381	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	108.4680	0.018	2	108.4680	0.000	2	108.8243	0.381	3	108.8243	0.381	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:P-4:C-4:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[5]O[5]2Rh)(PC[6a]RhC)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[5]O[5]2Rh)(PC[6a]RhC)(CC[6a]CH)	111.1330	0.010	2	111.1330	0.000	2	111.1330	0.000	2	111.1330	0.000	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	111.3130	0.000	1	111.3130	0.000	1	111.9345	0.773	2	111.9345	0.773	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	112.5560	0.000	1	112.5560	0.000	1	111.9345	0.773	2	111.9345	0.773	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	N(CC[5a]C[6a]C)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|C<3>,1|F<1>,1|H<1>}	N(CC[5a]C[6a]C)(CCO)(H)	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	109.7002	4.271	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCN){1|H<1>,2|C<3>}	N(CC[6a]CC)(CCO)(H)	111.8120	0.000	1	111.8120	0.000	1	110.4360	1.427	3	109.7002	4.271	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	109.7480	0.119	2	109.7480	0.014	2	110.4360	1.427	3	109.7002	4.271	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC[6a]O)(H)	109.7963	2.287	6	109.7963	5.231	6	109.7963	5.231	6	109.7002	4.271	10	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(SC[6a]OO)(H)	107.2152	2.046	4	107.2152	4.186	4	107.2152	4.186	4	107.2152	4.186	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN)	N(CC[6a]2C)(CH3)(CNO)	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN){1|C<3>,1|H<1>}	N(CC[6a]2C)(CH3)(CNO)	109.8920	0.000	1	109.8920	0.000	1	110.4775	0.686	2	110.4775	0.686	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CH3)(CNO)	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CH3)(CNO)	111.0630	0.000	1	111.0630	0.000	1	110.4775	0.686	2	110.4775	0.686	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:4:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	109.8720	0.000	1	109.8720	0.000	1	109.3280	0.592	2	109.3280	0.592	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:4:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	108.7840	0.000	1	108.7840	0.000	1	109.3280	0.592	2	109.3280	0.592	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:4:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	109.2015	0.469	2	110.2193	3.218	3	110.2193	3.218	3	110.2193	3.218	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:4:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	112.2550	0.000	1	110.2193	3.218	3	110.2193	3.218	3	110.2193	3.218	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:2:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	111.8420	0.000	1	111.8420	0.000	1	111.3645	0.456	2	111.3645	0.456	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:2:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]CH)(CCO)(H)	110.8870	0.000	1	110.8870	0.000	1	111.3645	0.456	2	111.3645	0.456	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[5,5,6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[5,5,6]O)(CC[6a]CH)(H)	111.7910	0.000	1	111.7910	0.000	1	111.5998	1.716	4	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]C[5])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]CH)(H)	111.5360	1.597	3	111.5360	2.550	3	111.5998	1.716	4	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[4a]C[4a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]CH)(H)	110.4525	0.887	2	110.4525	0.788	2	110.4525	0.788	2	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.7505	1.087	2	112.7505	1.181	2	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.6590	0.000	1	111.6590	0.000	1	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.5400	0.000	1	111.5400	0.000	1	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.1330	0.000	1	113.1330	0.000	1	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.4350	0.000	1	111.4350	0.000	1	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.1770	0.000	1	111.1770	0.000	1	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.7180	1.660	5	113.7180	2.756	5	112.7529	2.172	12	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	112.4416	3.043	19	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	112.6280	0.977	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	112.6280	0.977	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	N(CC[6a]CF)(O)2	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>}	N(CC[6a]CF)(O)2	107.0260	0.000	1	107.0260	0.000	1	109.0910	3.389	3	109.8670	4.668	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	C[6a](C[6a]C[6a]H)2(CCFN)	N(CC[6a]CF)(O)2	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>}	N(CC[6a]CF)(O)2	110.1235	0.617	2	110.1235	0.381	2	109.0910	3.389	3	109.8670	4.668	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:S-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS)	N(CC[6a]HS)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HS)(O)2	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	109.8670	4.668	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCO)(H)	112.0810	0.917	6	112.0810	0.841	6	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[5,6]O)(H)	108.5095	0.527	4	108.5095	0.278	4	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[5]O)(H)	110.4038	2.482	5	110.4038	6.158	5	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	111.1220	1.748	4	111.1220	3.054	4	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CNO)(H)	108.1967	0.609	3	108.1967	0.371	3	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CNS)(H)	109.5395	3.655	4	109.5395	13.360	4	110.2223	5.188	26	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	113.7040	0.000	1	113.7040	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	114.0877	0.906	3	114.0877	0.820	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.1650	0.000	1	112.1650	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	111.0330	0.627	3	111.0330	0.393	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.7990	0.000	1	113.7990	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	110.9119	2.045	7	110.9119	4.180	7	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	111.0528	1.342	18	111.0528	1.800	18	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.3043	0.923	12	113.3043	0.852	12	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	109.5235	0.315	2	109.5235	0.099	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	114.4130	0.000	1	114.4130	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	116.0290	0.000	1	116.0290	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.4550	0.000	1	112.4550	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	111.9770	0.752	2	111.9770	0.566	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CCO)(H)	111.9570	0.000	1	111.9570	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	112.6680	0.000	1	112.6680	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCC)(H)	108.0490	0.000	1	108.0490	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	112.3042	0.571	8	112.3420	0.298	9	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CCO)(H)	112.6440	0.000	1	112.3420	0.298	9	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]O)(H)	110.7047	1.834	3	110.7047	3.364	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]H)(H)	108.9070	0.000	1	108.9070	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.4877	1.311	7	112.4877	1.719	7	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|F<1>}	N(CC[6a]CH)(COO)(H)	113.1680	0.000	1	112.1073	2.874	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	111.5770	2.015	2	112.1073	2.874	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,2|C<4>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	110.7990	0.000	1	110.7990	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	114.4915	1.165	2	114.4915	1.356	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.3110	0.000	1	113.3110	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	113.2245	0.422	2	113.2245	0.178	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5a]O)(H)	112.9030	0.000	1	112.9030	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	110.7470	0.000	1	110.7470	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.8726	1.290	5	112.8726	1.664	5	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.9800	0.000	1	113.9800	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.5430	0.000	1	112.5430	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.0710	0.000	1	112.0710	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	110.8170	0.000	1	110.8170	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	111.6570	0.000	1	111.6570	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	111.9020	0.141	2	111.9020	0.020	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.8525	0.347	2	112.8525	0.121	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]2)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]2)2(CCHN){2|H<1>,5|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	115.5890	0.000	1	115.5890	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	113.3620	0.211	2	113.3620	0.044	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	113.7960	1.315	2	113.7960	1.730	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCS)(H)	111.4640	0.981	2	111.4640	0.963	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]O)(H)	112.5418	0.287	5	112.5418	0.082	5	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	111.1700	0.000	1	111.1700	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.7670	0.000	1	112.7670	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.3870	0.447	2	112.3870	0.200	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.8050	0.000	1	112.8050	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.7835	0.835	2	112.7835	0.697	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	112.3570	0.000	1	112.3570	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	114.1950	0.000	1	114.1950	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	114.1430	0.000	1	114.1430	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	112.8290	0.000	1	112.8290	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CCO)(H)	113.3890	0.406	2	113.3890	0.165	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	110.5337	1.347	12	110.5337	1.815	12	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	N(CC[6a]CH)(CCO)(H)	111.0867	1.410	4	111.0867	1.988	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	108.9720	0.000	1	108.9720	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCC)(H)	111.8227	2.406	4	111.8227	5.790	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCN)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCN)(H)	112.9944	0.576	5	112.9944	0.332	5	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	111.3542	1.554	40	111.3542	2.416	40	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[3]O)(H)	111.3210	1.461	8	111.3210	2.136	8	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[4,5]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[4,5]O)(H)	112.2070	0.000	1	112.2070	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[4,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[4,6]O)(H)	110.5487	1.688	4	110.5487	2.849	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[4]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[4]O)(H)	109.9045	0.811	2	109.9045	0.658	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5,6]O)(H)	111.0290	0.000	1	111.0290	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]O)(H)	111.1540	2.020	3	111.1540	4.080	3	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]S)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]S)(H)	108.5860	0.000	1	108.5860	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5a]O)(H)	110.3592	1.254	16	110.3592	1.572	16	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6,6]O)(H)	112.5300	0.000	1	112.5300	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]O)(H)	112.0787	0.632	4	112.0787	0.399	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)(H)	110.5960	0.000	1	110.5960	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]N)(H)	111.6525	1.049	4	111.6525	1.101	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|C<4>}	N(CC[6a]CH)(CC[6a]O)(H)	112.3590	0.000	1	111.0345	1.357	52	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	111.0086	1.161	51	111.0345	1.357	52	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]S)(H)	109.2910	0.290	2	109.2910	0.084	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CHN)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CHN)(H)	108.7520	0.000	1	108.7520	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNO)(H)	110.4211	2.594	24	110.4211	6.729	24	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNS)(H)	109.7379	1.946	12	109.7379	3.786	12	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CN[3]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CN[3]O)(H)	112.1240	0.000	1	112.1240	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CN[6,6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CN[6,6]O)(H)	112.4495	1.638	2	112.4495	2.684	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CN[6]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CN[6]O)(H)	111.0480	0.862	4	111.0480	0.743	4	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	111.4203	1.626	8	111.4203	2.645	8	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNS)(H)	111.0980	0.000	1	111.0980	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(H)	112.0245	0.521	2	112.0245	0.272	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[3]O)(H)	110.9290	0.000	1	110.9290	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[4]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[4]O)(H)	112.4910	0.560	2	112.4910	0.314	2	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]H)(H)	112.6050	0.000	1	112.6050	0.000	1	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	112.5446	0.838	7	112.5446	0.702	7	111.4677	2.955	358	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	N(CC[6a]CH)(CCC)(O)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCC)(O)	113.9095	1.020	4	113.9095	1.040	4	112.1283	5.833	7	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCH)(O)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCH)(O)	109.3580	0.000	1	109.3580	0.000	1	112.1283	5.833	7	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCH)(O)	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCH)(O)	109.9510	1.426	2	109.9510	2.032	2	112.1283	5.833	7	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	106.5910	0.000	1	106.5910	0.000	1	107.6830	2.385	2	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	108.7750	0.000	1	108.7750	0.000	1	107.6830	2.385	2	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(SCO)(H)	112.2190	0.000	1	112.2190	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	113.9640	0.000	1	113.9640	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(SCO)(H)	110.2900	0.000	1	110.2900	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	108.3810	0.000	1	108.3810	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	110.8870	0.000	1	110.8870	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	115.0450	0.000	1	115.0450	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	115.8040	0.000	1	115.8040	0.000	1	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]CH)(SCO)(H)	116.0940	0.000	1	115.7500	0.237	2	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	115.4060	0.000	1	115.7500	0.237	2	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	110.8890	0.479	2	110.8890	0.230	2	112.7153	7.034	11	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(CC[6a]O)(H)	111.6600	0.000	1	111.6600	0.000	1	111.7823	0.114	3	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	N(CC[6a]C[3]H)(COO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(COO)(H)	111.8435	0.453	2	111.8435	0.205	2	111.7823	0.114	3	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	113.6550	0.000	1	113.6550	0.000	1	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	112.7570	0.000	1	112.7570	0.000	1	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	111.1136	0.904	11	111.1136	0.817	11	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]C[5]H)(COO)(H)	112.2465	0.049	2	112.7563	0.781	3	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	113.7760	0.000	1	112.7563	0.781	3	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HN){1|H<1>,2|C<3>}	N(CC[6a]C[5]H)(COO)(H)	112.7150	0.000	1	112.7150	0.000	1	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(CCO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CCO)(H)	109.4535	0.457	2	109.4535	0.209	2	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	110.1460	0.000	1	110.1460	0.000	1	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	113.6170	0.000	1	113.6170	0.000	1	111.5389	1.934	21	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(COO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(COO)(H)	111.6410	0.000	1	111.6410	0.000	1	111.4680	0.232	5	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]C[6]H)(CCO)(H)	110.8050	0.000	1	110.8050	0.000	1	111.4680	0.232	5	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(COO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(COO)(H)	111.8030	0.000	1	111.8030	0.000	1	111.4680	0.232	5	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(COO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(COO)(H)	111.5455	0.579	2	111.5455	0.335	2	111.4680	0.232	5	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	114.5037	0.568	3	114.6400	0.289	4	114.6400	0.289	4	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	115.0490	0.000	1	114.6400	0.289	4	114.6400	0.289	4	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SCO)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(CCO)(H)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CCO)(H)	111.8360	0.174	2	111.8360	0.030	2	113.7879	2.150	8	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CC[6a]O)(H)	114.4336	1.102	5	114.4336	1.215	5	113.7879	2.150	8	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(CNS)(H)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CNS)(H)	114.4630	0.000	1	114.4630	0.000	1	113.7879	2.150	8	111.4922	3.421	447	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	110.5730	0.000	1	110.5730	0.000	1	111.0192	0.452	4	110.9767	0.942	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)2	111.1680	0.739	3	111.1680	0.546	3	111.0192	0.452	4	110.9767	0.942	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCH)(NCH)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCH)(NCH)	110.2580	1.284	2	110.2580	1.649	2	110.9200	2.139	3	110.9767	0.942	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(NCC)	112.2440	0.000	1	112.2440	0.000	1	110.9200	2.139	3	110.9767	0.942	7	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:C-4:	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(BC[6a]2)(CH3)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(BC[6a]2)(CH3)	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5a]O)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5a]O)(CH3)	109.7060	0.701	2	109.7060	0.492	2	110.5493	0.749	8	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]O)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]O)(CCHH)	111.6710	0.000	1	111.6710	0.000	1	110.5493	0.749	8	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCCH)	110.4770	0.000	1	110.4770	0.000	1	110.5493	0.749	8	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCHH)	110.3880	0.156	2	110.3880	0.024	2	110.5493	0.749	8	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCCH)	111.0290	1.236	2	111.0290	1.528	2	110.5493	0.749	8	110.6712	0.789	9	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	109.4610	0.000	1	109.4610	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	112.9360	0.000	1	112.9360	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	107.9670	0.000	1	107.9670	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(H)	112.6870	0.000	1	112.6870	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	110.0600	0.000	1	110.0600	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]CH)(H)	114.9570	0.000	1	114.9570	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]HH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]HH)(H)	111.3480	0.000	1	111.3480	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	110.9960	0.000	1	110.9960	0.000	1	111.3015	4.871	8	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PO3)(H)	112.2610	0.000	1	112.2610	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PNNO)(H)	110.8725	0.261	2	110.8725	0.068	2	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PN3)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PN3)(H)	109.1590	0.000	1	109.1590	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	112.1850	0.000	1	112.1850	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PCOS)(H)	111.6530	0.000	1	111.6530	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2B)(H)	109.8440	0.000	1	109.8440	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	112.2640	0.000	1	112.2640	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]CO)(H)	113.6780	0.000	1	113.6780	0.000	1	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PNNO)(H)	112.5167	1.354	3	112.5167	1.833	3	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PO3)(H)	112.6395	0.900	4	112.6395	0.809	4	111.9311	1.793	16	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.0800	0.000	1	111.0800	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.2580	0.000	1	112.2580	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.1030	0.000	1	111.1030	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.4962	0.792	6	113.4962	0.628	6	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.2240	0.571	3	113.2240	0.326	3	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	116.4410	0.165	4	116.4410	0.027	4	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.7000	0.000	1	114.7000	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.4465	0.431	2	112.4465	0.185	2	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.5950	0.000	1	111.5950	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.1450	0.000	1	112.1450	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.2920	0.000	1	114.2920	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.3820	0.000	1	111.3820	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCOO)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCOO)(H)	114.1340	0.000	1	114.1340	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.2250	0.000	1	114.2250	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SRhCO)(H)	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SRhCO)(H)	112.2200	0.000	1	112.2200	0.000	1	113.4785	2.753	26	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SC[6a]OO)(H)	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(SC[6a]OO)(H)	112.7570	0.000	1	112.7570	0.000	1	114.8230	3.206	3	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HP)(SC[6a]OO)(H)	115.8560	0.099	2	115.8560	0.010	2	114.8230	3.206	3	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	N(CC[6a]SiH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]SiH)(PC[6a]2O)(H)	113.1490	0.000	1	113.1490	0.000	1	113.1490	0.000	1	112.7174	3.539	56	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(OC)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	112.4165	20.028	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:N-2:	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(NC)	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(NC)	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	112.4165	20.028	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCHH)(CCO)	110.3878	1.384	18	110.3878	1.915	18	110.4016	1.729	20	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(CCS)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCHH)(CCS)	110.5265	0.501	2	110.5265	0.251	2	110.4016	1.729	20	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCO)	111.1950	0.359	2	111.1950	0.129	2	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(CCO)	108.6660	0.000	1	108.6660	0.000	1	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(CCO)	109.4795	1.568	2	109.4795	2.458	2	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(CCO)	110.6228	1.330	11	110.6228	1.768	11	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	109.8940	0.000	1	109.8940	0.000	1	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(CCO)	109.6790	0.000	2	109.6790	0.000	2	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6]O)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6]O)	112.2463	3.259	6	112.2463	10.621	6	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCCH)(CCO)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,3|C<4>}	N(CC[6a]CH)(CCCH)(CCO)	109.9210	0.000	1	109.9210	0.000	1	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(CCO)	110.6325	0.057	2	110.7777	0.065	3	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|O<2>}	N(CC[6a]CH)(CCHH)(CCO)	111.0680	0.000	1	110.7777	0.065	3	110.7534	3.529	29	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-3:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(POO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(POO)	112.0383	1.869	4	112.0383	3.494	4	112.0383	3.494	4	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(COO)	112.2740	0.000	1	112.2740	0.000	1	111.3265	1.796	2	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-3:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PCOO)(COO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PCOO)(COO)	110.3790	0.000	1	110.3790	0.000	1	111.3265	1.796	2	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCC)	111.0700	0.000	1	111.0700	0.000	1	111.6640	0.706	2	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	112.2580	0.000	1	112.2580	0.000	1	111.6640	0.706	2	110.7722	2.786	57	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CHHN)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CHHN)2	110.0970	0.000	1	110.0970	0.000	1	109.7430	0.400	4	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)3	109.6250	0.719	3	109.6250	0.517	3	109.7430	0.400	4	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	113.3470	0.000	1	113.3470	0.000	1	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]CH)(PPdOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]CH)(PPdOO)	109.7340	0.581	2	109.7340	0.338	2	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]CH)(PRuOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]CH)(PRuOO)	109.5950	0.000	1	109.5950	0.000	1	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	111.7570	0.000	1	111.7570	0.000	1	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PIrOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PIrOO)	111.8000	1.314	3	111.8000	1.726	3	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PNiOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PNiOO)	112.9960	1.010	2	112.9960	1.020	2	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PRhOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PRhOO)	112.4450	1.701	8	112.4450	2.893	8	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CIrHH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PIrOO)	C(C[6a]C[6a]2)(CIrHH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PIrOO)	113.9380	0.000	1	113.9380	0.000	1	112.0556	2.798	19	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2S)(CH3)	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCHH)	113.4110	0.000	1	113.4110	0.000	1	112.2173	1.207	3	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CSnCH)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CSnCH)	111.6205	0.527	2	111.6205	0.278	2	112.2173	1.207	3	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	111.4650	0.000	1	111.4650	0.000	1	111.3863	2.352	3	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	112.8790	0.000	1	112.8790	0.000	1	111.3863	2.352	3	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	109.8150	0.000	1	109.8150	0.000	1	111.3863	2.352	3	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Pd)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]CH)(CH3)	112.5015	0.762	2	112.5015	0.580	2	112.5015	0.580	2	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	115.2160	0.000	1	115.2160	0.000	1	116.2360	2.081	2	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	117.2560	0.000	1	117.2560	0.000	1	116.2360	2.081	2	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	114.3190	0.000	1	114.3190	0.000	1	114.5345	0.093	2	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	114.7500	0.000	1	114.7500	0.000	1	114.5345	0.093	2	112.1500	3.759	36	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(COO)(H)	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(COO)(H)	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN)	N(CC[6a]CC)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]HH)(H)	111.0245	0.812	2	111.0245	0.660	2	111.0245	0.660	2	111.0245	0.660	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(COO)(H)	109.8560	2.638	2	109.8560	6.956	2	109.8560	6.956	2	109.8560	6.956	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:3:	3:3:4:	4:3:3:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCN)	N(CC[6a]CC)(COO)(NCH)	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CC)(COO)(NCH)	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(PC[6a]2O)(H)	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	2:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	N[6a]-2:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a])2(CCCN)	N(CC[6a]CC)(COO)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	N(CC[6a]CC)(COO)(H)	109.6910	0.093	2	109.6910	0.009	2	109.6910	0.009	2	109.6910	0.009	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	2:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	N[6a]-2:N[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	N(CC[6a]CC)(CC[5a]O)(H)	104.6760	0.000	1	104.6760	0.000	1	104.6760	0.000	1	104.6760	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:N[6a]-2:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(O)2	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]CC)(O)2	105.2350	1.119	2	105.2350	1.251	2	105.2350	1.251	2	105.2350	1.251	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CCO)(H)	108.2017	0.670	3	108.2017	0.449	3	107.4114	0.770	7	108.4194	3.710	12	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	106.8187	0.385	4	106.8187	0.148	4	107.4114	0.770	7	108.4194	3.710	12	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	N[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N(CC[6a]CC)(CC[5a]O)(H)	109.3167	2.583	3	109.3167	6.673	3	109.8306	4.781	5	108.4194	3.710	12	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	N[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(COO)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N(CC[6a]CC)(COO)(H)	111.9790	0.000	1	111.9790	0.000	1	109.8306	4.781	5	108.4194	3.710	12	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:2:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	N[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(CC[6a]CC)(COO)(H)	C(C[6a]N[6a]2)(CH3)2(NCH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N(CC[6a]CC)(COO)(H)	109.2240	0.000	1	109.2240	0.000	1	109.8306	4.781	5	108.4194	3.710	12	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CH3)2(NOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(CH3)2(NOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCN){1|H<1>,2|C<3>}	N(CC[6a]CC)(O)2	108.4470	0.000	1	108.4470	0.000	1	107.8725	0.660	2	107.8725	0.660	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CHHN)2(NOO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(O)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(O)2	107.2980	0.000	1	107.2980	0.000	1	107.8725	0.660	2	107.8725	0.660	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CCCN)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CCCN){2|H<1>,3|C<3>}	N(CC[6a]CC)(CC[6a]O)(H)	108.1040	0.000	1	108.1040	0.000	1	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CCO)(H)	108.9500	1.465	2	108.9500	2.147	2	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CCO)(H)	109.3648	1.064	4	109.3648	1.132	4	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]CC)(CC[5a]O)(H)	110.5960	0.000	1	110.5960	0.000	1	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]CC)(CC[6a]O)(H)	108.2130	0.000	1	108.2130	0.000	1	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]H)(H)	105.5280	0.000	1	105.5280	0.000	1	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	110.1980	0.000	1	110.1980	0.000	1	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CNO)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CNO)(H)	110.4907	0.741	10	110.4907	0.548	10	109.6621	2.074	21	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SCO)(H)	108.9210	0.000	1	108.9210	0.000	1	108.7105	0.089	2	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SCO)(H)	108.5000	0.000	1	108.5000	0.000	1	108.7105	0.089	2	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:P-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNP)	N(CC[6a]CP)(COO)(H)	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	N(CC[6a]CP)(COO)(H)	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	109.6881	2.163	24	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:3:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(CCO)	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SC[6a]OO)(H)	113.9200	0.000	1	113.9200	0.000	1	112.3235	5.098	2	112.3597	2.553	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SC[6a]OO)(H)	110.7270	0.000	1	110.7270	0.000	1	112.3235	5.098	2	112.3597	2.553	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:P-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	N(CC[6a]CP)(SCOO)(H)	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	N(CC[6a]CP)(SCOO)(H)	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	112.3597	2.553	3	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:1:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(O)2	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(O)2	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5,6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HN)	N(CC[5,6]C[6a]H)(COO)(H)	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HN){1|C<3>,2|H<1>}	N(CC[5,6]C[6a]H)(COO)(H)	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	111.8180	0.000	1	111.8180	0.000	1	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CCO)(H)	110.4975	1.524	2	110.4975	2.322	2	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	112.8740	0.000	1	112.8740	0.000	1	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	108.5460	0.200	3	108.5460	0.040	3	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CCO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CCO)(H)	111.6600	0.000	1	111.6600	0.000	1	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C[5]H)(COO)(H)	111.6230	0.000	1	111.6230	0.000	1	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	113.3400	0.000	1	113.3400	0.000	1	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	112.3630	0.823	2	112.3630	0.677	2	111.0562	3.255	12	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	117.1960	0.000	1	117.1960	0.000	1	115.2280	7.746	2	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	113.2600	0.000	1	113.2600	0.000	1	115.2280	7.746	2	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN){1|C<3>,2|F<1>}	N(CC[6a]C[5]H)(SCO)(H)	112.8390	0.786	2	112.8390	0.618	2	112.8390	0.618	2	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN)	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	111.4340	0.000	1	111.4340	0.000	1	111.2975	0.073	4	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	N(CC[6,6]C[6a]H)(CNS)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(CNS)(H)	111.2520	0.313	3	111.2520	0.098	3	111.2975	0.073	4	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C[4a]-3:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	N(CC[6,6]C[6a]H)(C[4a]C[4a]2)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(C[4a]C[4a]2)(H)	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HN)	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HN){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	112.1080	1.508	2	112.1080	2.273	2	112.1080	2.273	2	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(COO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(COO)(H)	114.6010	0.000	1	114.6010	0.000	1	114.6010	0.000	1	111.8660	3.664	25	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:2:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:N-2:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PN3)(H)	108.9540	4.971	2	108.9540	24.710	2	108.9540	24.710	2	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	N(CC[6a]C[3]H)(CC3)(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C[3]H)(CC3)(H)	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P[5]-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(P[5]N[5]2O)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(P[5]N[5]2O)(H)	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	114.2880	0.000	1	114.2880	0.000	1	113.2292	0.338	9	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	114.0270	0.000	1	114.0270	0.000	1	113.2292	0.338	9	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	112.9640	0.274	7	112.9640	0.075	7	113.2292	0.338	9	112.0471	6.745	14	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(CCHH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(CCHH)	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	110.8775	11.305	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SC[6a]OO)(CH3)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SC[6a]OO)(CH3)	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	110.8775	11.305	2	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]CN)	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]CN){1|C<3>,2|H<1>}	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	111.7403	0.382	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6,6]CN)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6,6]CN){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.7403	0.382	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]CN)	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]CN){1|C<3>,2|H<1>}	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	111.4240	0.330	2	111.4240	0.109	2	111.4240	0.109	2	111.7403	0.382	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	4:3:3:	4:3:1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	N(CC[6a]2C[5])(CNN)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6a]2C[5])(CNN)(H)	108.5535	1.401	4	108.5535	1.963	4	108.5535	1.963	4	109.1350	3.405	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	110.2980	2.660	2	110.2980	7.076	2	110.2980	7.076	2	109.1350	3.405	6	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:3:	4:3:3:	4:4:1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6a]2C[5])(PN3)(H)	108.6040	2.908	4	108.6040	8.456	4	108.6040	8.456	4	108.6040	8.456	4	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP2	C	C[6a]	N	6:3:3:1:	4:3:3:	4:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	112.3681	5.299	3118	112.3681	5.299	3118
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	111.9670	0.000	1	111.9670	0.000	1	112.3807	3.925	3	112.3807	3.925	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	112.5875	2.756	2	112.5875	7.593	2	112.3807	3.925	3	112.3807	3.925	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	N(CC[6a]HH)(SC[6a]OO)(H)	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCCH)(CCHH)	111.7280	0.000	1	111.7280	0.000	1	111.6542	2.488	33	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	110.8930	0.000	1	110.8930	0.000	1	111.6542	2.488	33	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)2	112.6640	1.486	3	112.6640	2.209	3	111.6542	2.488	33	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CCHH)	111.7236	1.547	18	111.7236	2.392	18	111.6542	2.488	33	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	111.2949	1.811	10	111.2949	3.279	10	111.6542	2.488	33	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	110.9420	0.000	1	110.9420	0.000	1	111.6924	7.479	5	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	2:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)2	111.8800	3.120	4	111.8800	9.737	4	111.6924	7.479	5	111.6592	2.961	38	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	110.7325	1.153	2	111.7062	3.580	4	112.4738	5.631	5	112.4738	5.631	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.6800	2.370	2	111.7062	3.580	4	112.4738	5.631	5	112.4738	5.631	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.5440	0.000	1	115.5440	0.000	1	112.4738	5.631	5	112.4738	5.631	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNO)(H)	115.1010	0.085	2	115.1010	0.007	2	115.1010	0.007	2	115.1010	0.007	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)	117.6400	0.000	1	117.6400	0.000	1	113.4398	4.791	6	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	112.5180	0.000	1	113.1780	0.871	2	113.4398	4.791	6	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	113.8380	0.000	1	113.1780	0.871	2	113.4398	4.791	6	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	112.2143	0.633	3	112.2143	0.401	3	113.4398	4.791	6	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	113.2253	1.890	4	113.2253	3.572	4	113.2253	3.572	4	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)	111.6752	2.083	6	111.6752	4.338	6	111.6752	4.338	6	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	112.5602	4.649	17	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]N[6a])(NCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(NCH)	C(C[6a]C[6a]N[6a])(NCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(NCH)	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)2(CCHH)	112.9108	1.420	11	112.9108	2.015	11	113.0370	1.700	17	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)3	113.2683	1.145	6	113.2683	1.312	6	113.0370	1.700	17	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	113.1770	0.441	2	113.1770	0.195	2	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(CH3)	111.7250	0.000	1	111.7250	0.000	1	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)2	113.5150	0.069	2	113.0872	1.879	25	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)2	113.4890	1.453	4	113.0872	1.879	25	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	112.9146	1.602	14	113.0872	1.879	25	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)2	114.2160	0.000	1	113.0872	1.879	25	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CCHH)2	112.7933	0.884	4	113.0872	1.879	25	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[5]HH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[5]HH)2	114.6850	0.000	1	114.6850	0.000	1	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6]HH)(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CCHH)	110.9180	0.000	1	110.9180	0.000	1	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CC3)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC3)	114.2280	2.598	2	114.2280	6.749	2	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(CCHH)	112.1940	2.017	6	112.3077	3.778	39	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)	113.0654	1.256	27	112.3077	3.778	39	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CCHH)	109.0118	0.533	6	112.3077	3.778	39	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]HH)3	112.1645	1.616	4	112.8431	2.296	62	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]HH)3	113.4090	0.000	1	112.8431	2.296	62	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)3	113.6382	2.389	6	112.8431	2.296	62	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	112.7917	1.397	51	112.8431	2.296	62	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)2	112.7420	0.853	2	112.7420	0.727	2	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	N(CC[6a]HH)(CH3)2	111.7750	0.692	2	111.7750	0.478	2	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)2	114.0035	0.223	2	114.0035	0.050	2	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)2(CCHH)	112.5711	1.165	8	112.5711	1.356	8	112.7429	2.572	147	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PHNN)	114.1055	1.877	2	114.1055	3.525	2	114.1055	3.525	2	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(SC[6a]OO)	109.6460	0.936	2	112.1062	5.295	6	112.1062	5.295	6	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SC[6a]OO)	113.3363	1.575	4	112.1062	5.295	6	112.1062	5.295	6	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(PCoNN)(CCHH)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PCoNN)(CCHH)	113.2520	0.000	1	113.2520	0.000	1	114.3560	2.438	2	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(PNiNN)(CCHH)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNiNN)(CCHH)	115.4600	0.000	1	115.4600	0.000	1	114.3560	2.438	2	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	114.4870	0.000	1	114.4870	0.000	1	112.0711	4.756	10	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	108.2110	0.665	2	110.8296	6.219	5	112.0711	4.756	10	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.5753	0.888	3	110.8296	6.219	5	112.0711	4.756	10	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	113.0190	0.513	4	113.0190	0.263	4	112.0711	4.756	10	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	N(CC[6a]HH)(CCHH)(CH3)	112.8590	0.000	1	112.8590	0.000	1	115.2813	4.954	3	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	N(CC[6a]HH)(CCHH)2	116.4925	1.051	2	116.4925	1.106	2	115.2813	4.954	3	112.7858	2.819	187	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-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)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(CC[6a]HH)	109.5465	0.177	2	109.5465	0.032	2	109.5465	0.032	2	112.8233	14.732	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	115.3200	0.000	1	115.3200	0.000	1	115.3200	0.000	1	112.8233	14.732	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	116.8800	0.000	1	116.8800	0.000	1	116.8800	0.000	1	112.8233	14.732	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(CC[6a]HH)(H)	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)(H)	117.4040	0.000	1	117.4040	0.000	1	113.2118	7.218	5	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	112.1638	1.517	4	112.1638	2.302	4	113.2118	7.218	5	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.4030	0.000	1	112.4030	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.2905	0.186	2	112.2905	0.035	2	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.2710	1.284	3	111.2710	1.650	3	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	108.1440	1.974	2	108.1440	3.898	2	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	111.3540	0.000	1	111.3540	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.0050	0.000	1	114.0050	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.1880	0.000	1	113.6370	2.817	4	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.4533	0.476	3	113.6370	2.817	4	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	113.4060	0.000	1	113.4060	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.3390	0.000	1	111.5652	2.364	11	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.5370	2.632	3	111.5652	2.364	11	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.0381	0.857	7	111.5652	2.364	11	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	114.7880	0.000	1	114.7880	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.2210	0.000	1	117.2210	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	110.8000	0.000	1	110.8000	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	113.1130	0.000	1	112.7976	2.748	20	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	112.7810	1.702	19	112.7976	2.748	20	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	113.6695	3.501	2	112.7516	7.833	5	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	112.1397	2.852	3	112.7516	7.833	5	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	113.6580	0.000	1	113.6580	0.000	1	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	111.4733	0.348	3	111.4733	0.121	3	112.3830	3.879	58	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]HH)(H)	108.4990	0.000	1	108.4990	0.000	1	110.3251	1.200	8	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]HH)(H)	110.8220	0.267	3	110.5860	0.765	7	110.3251	1.200	8	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(N[5a]C[5a]2)(CC[6a]HH)(H)	110.6735	1.264	2	110.5860	0.765	7	110.3251	1.200	8	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]2)(CC[6a]HH)(H)	110.1445	1.510	2	110.5860	0.765	7	110.3251	1.200	8	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-3:C-4:H-1:	C(C[6a]C[6a]2)(NP[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[5]N[5]2)(CC[6a]HH)(H)	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	112.2721	4.393	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	112.5440	0.000	1	112.5440	0.000	1	112.5440	0.000	1	114.8110	3.975	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	115.9445	0.490	2	115.9445	0.240	2	115.9445	0.240	2	114.8110	3.975	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]C[4,6]C[4])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]C[4,6]C[4])(CC[6a]HH)(SC[6a]OO)	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5,6]C[5,5,6]C[5,6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6])(CC[6a]HH)(SC[6a]OO)	110.1275	0.469	2	110.1275	0.220	2	110.1275	0.220	2	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	N(C[5]C[4,5]C[5])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	N(C[5]C[4,5]C[5])(CC[6a]HH)(SC[6a]OO)	111.2970	0.000	1	111.2970	0.000	1	112.2150	2.846	3	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	112.6740	2.104	2	112.6740	4.428	2	112.2150	2.846	3	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)2	113.5785	1.204	2	113.5785	1.450	2	112.1646	2.307	7	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	110.5150	0.000	1	110.5150	0.000	1	112.1646	2.307	7	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	110.9200	0.771	2	110.9200	0.594	2	112.1646	2.307	7	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)2	112.8200	1.058	2	112.8200	1.119	2	112.1646	2.307	7	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	111.6200	0.000	1	111.6200	0.000	1	111.6437	0.848	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]HH)(SC[6a]OO)	112.2470	0.000	1	112.2470	0.000	1	111.6437	0.848	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SCOO)	110.3510	0.000	1	110.3510	0.000	1	111.6437	0.848	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	112.3570	0.000	1	112.3570	0.000	1	111.6437	0.848	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	111.8080	0.000	1	111.8080	0.000	1	112.9475	1.377	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	112.5880	0.000	1	112.5880	0.000	1	112.9475	1.377	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	113.6970	1.257	2	113.6970	1.581	2	112.9475	1.377	4	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	112.2470	1.230	2	112.2470	1.514	2	112.2470	1.514	2	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	114.8547	1.150	4	114.8547	1.323	4	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	116.1900	0.000	1	116.1900	0.000	1	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	117.2860	0.000	1	117.2860	0.000	1	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	115.3770	0.000	1	115.3770	0.000	1	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	115.9510	0.533	3	116.1747	0.497	7	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.0840	0.000	1	116.1747	0.497	7	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	115.1630	0.000	1	116.1747	0.497	7	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	116.5615	0.340	2	116.1747	0.497	7	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	115.7655	0.687	2	115.7655	0.471	2	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	113.9695	1.259	2	113.9695	1.586	2	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	112.3130	0.000	1	112.3130	0.000	1	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	112.2420	1.590	2	112.2420	2.527	2	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	113.8357	1.081	4	113.8357	1.169	4	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	113.5572	1.292	6	113.5572	1.668	6	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	113.2765	0.607	2	113.2765	0.369	2	114.5758	2.623	33	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	111.0085	0.122	2	111.0085	0.015	2	112.1330	1.772	6	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	113.4950	0.000	1	113.4950	0.000	1	112.1330	1.772	6	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	113.8650	0.000	1	113.8650	0.000	1	112.1330	1.772	6	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	111.7105	1.051	2	111.7105	1.106	2	112.1330	1.772	6	113.3895	3.803	62	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:1:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)2	115.8193	1.953	7	115.8193	3.814	7	115.8193	3.814	7	115.8193	3.814	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CNO)(H)	113.5680	0.000	1	113.5680	0.000	1	112.2157	1.558	3	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNO)(H)	111.5395	0.610	2	111.5395	0.372	2	112.2157	1.558	3	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NCC)(H)	110.1930	0.273	3	110.1930	0.074	3	111.5028	6.911	4	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(NOO)(H)	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NOO)(H)	115.4320	0.000	1	115.4320	0.000	1	111.5028	6.911	4	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]HH)(SCO)(H)	112.3680	0.000	1	112.3680	0.000	1	113.0925	1.050	2	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[4]O)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[4]O)(H)	113.8170	0.000	1	113.8170	0.000	1	113.0925	1.050	2	112.0937	3.542	9	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:N-2:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNO)(NC)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNO)(NC)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	112.5900	2.214	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CNN)(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CNN)(OC)	112.8260	0.000	1	112.8260	0.000	1	113.3860	0.627	2	112.5900	2.214	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)(OC)	113.9460	0.000	1	113.9460	0.000	1	113.3860	0.627	2	112.5900	2.214	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:P-3:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6a]2)2	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]2)2	115.4035	0.186	2	115.4035	0.035	2	115.4035	0.035	2	115.4035	0.035	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]C)(CH3)	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	113.7480	2.044	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	113.7480	2.044	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN){1|Se<2>,1|H<1>,2|C<3>}	N(CC[6a]HH)(CC3)(H)	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]CH)(CC[6a]HH)(H)	108.0480	0.000	1	108.0480	0.000	1	109.7596	3.250	5	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCCH)(H)	112.5000	0.000	1	112.5000	0.000	1	109.7596	3.250	5	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCHH)(H)	109.4167	1.051	3	109.4167	1.104	3	109.7596	3.250	5	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6]-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[5]HH)(H)	111.7370	0.000	1	111.7370	0.000	1	114.2780	8.485	3	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(H)	115.5485	2.699	2	115.5485	7.285	2	114.2780	8.485	3	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	110.5690	0.399	2	110.5690	0.159	2	110.5690	0.159	2	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]HH)(H)	114.0530	0.000	1	114.0530	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(H)	113.1176	0.719	5	113.1176	0.518	5	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	117.1460	0.000	1	117.1460	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	111.8910	0.000	1	111.8910	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(H)	112.5979	1.172	9	112.5979	1.373	9	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	109.8880	0.000	1	109.8880	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCHH)(H)	114.0710	1.953	2	114.0710	3.814	2	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	112.2867	0.635	3	112.2867	0.403	3	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[5a]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|S<2>}	N(CC[5a]HH)(CC[6a]HH)(H)	111.1200	0.000	1	111.1200	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	112.7040	0.000	1	112.7040	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)	111.2750	0.902	2	111.2750	0.814	2	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(H)	114.4031	1.935	7	113.4744	3.691	17	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(H)	112.1530	0.574	2	113.4744	3.691	17	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	112.8151	1.963	7	113.4744	3.691	17	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	114.2310	0.000	1	113.4744	3.691	17	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	111.3665	0.528	2	111.3665	0.279	2	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]P[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]P[6]H)(CC[6a]HH)(H)	112.1160	0.000	1	112.1160	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[3x6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[3x6]CH)(CC[6a]HH)(H)	111.0420	0.000	1	111.0420	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]C[6a]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)(H)	113.7560	0.000	1	113.7560	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HP)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HP)(CC[6a]HH)(H)	111.2490	0.000	1	111.2490	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5x3,5x5,20x6]C[6a]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(CC[6a]HH)(H)	110.2520	0.000	1	110.2520	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	111.8667	2.089	3	111.8667	4.364	3	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[5]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]HH)(H)	112.3440	0.000	1	112.3440	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|P<4>}	N(CC[6a]HH)(CC3)(H)	114.3280	0.000	1	112.4703	4.693	7	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC3)(H)	112.1607	2.197	6	112.4703	4.693	7	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)	112.7001	2.336	12	112.7001	5.459	12	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)	113.7127	1.725	3	112.7794	2.413	27	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(H)	111.4030	0.591	2	112.7794	2.413	27	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	112.7773	1.543	22	112.7794	2.413	27	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]CH)(H)	112.3800	1.472	2	112.3800	2.167	2	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)(H)	112.2890	0.000	1	112.2890	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]CH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]CH)(H)	109.8560	0.000	2	109.8560	0.000	2	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(H)	116.4620	0.000	1	116.4620	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HP)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HP)(H)	112.7400	0.000	1	112.7400	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(H)	114.0010	0.735	6	113.0492	3.100	9	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(H)	111.1457	1.701	3	113.0492	3.100	9	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)	113.7880	3.058	3	113.7880	9.353	3	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(H)	112.8530	0.000	1	112.8530	0.000	1	112.7590	3.241	121	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(H)	113.1718	1.068	4	113.1718	1.140	4	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNOO)(H)	112.8685	0.513	2	112.8685	0.263	2	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6a]BC)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]BC)(H)	115.0650	0.000	1	115.0650	0.000	1	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PC[6a]NO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]NO)(H)	114.2885	0.763	2	114.2885	0.582	2	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PN3)(H)	113.4790	0.000	1	113.4790	0.000	1	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(H)	112.6033	2.228	4	112.6033	4.965	4	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNS)(H)	110.8460	0.075	2	110.8460	0.006	2	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNOO)(H)	114.4705	0.424	2	114.4705	0.179	2	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PO3)(H)	112.0890	0.000	1	112.0890	0.000	1	113.0884	2.346	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(SC[6a]OO)(H)	111.8620	0.000	1	111.8620	0.000	1	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(SC[6a]OO)(H)	107.5410	0.000	1	107.5410	0.000	1	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(SCOO)(H)	111.9660	0.000	1	111.9660	0.000	1	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	111.1490	1.546	3	111.1490	2.391	3	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[5]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[5]OO)(H)	111.3010	0.000	1	111.3010	0.000	1	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6]OO)(H)	111.6180	0.000	1	111.6180	0.000	1	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	110.8057	0.438	3	112.5099	3.484	11	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	113.1490	1.792	8	112.5099	3.484	11	111.8602	3.601	19	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[5]C[5]2C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[5]C[5]2C)(CC[6a]HH)(H)	109.2650	1.201	2	109.2650	1.442	2	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[3,5]C[5]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[3,5]C[5]H)(CC[6a]HH)(H)	110.7400	0.000	1	110.7400	0.000	1	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5,6a]N[5]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5]H)(CC[6a]HH)(H)	108.8750	0.000	1	108.8750	0.000	1	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)	113.1910	0.000	1	113.1910	0.000	1	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5a]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5a]C[5]2)(CC[6a]HH)(H)	111.9897	1.542	3	111.9897	2.376	3	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	111.7040	0.000	1	111.7040	0.000	1	111.0010	3.129	9	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN){3|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	110.7460	2.910	2	110.7460	8.471	2	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	113.6800	0.000	1	113.6800	0.000	1	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	112.2100	0.000	1	112.2100	0.000	1	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	115.6040	0.000	1	115.6040	0.000	1	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	111.0220	0.000	1	112.0093	2.264	3	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.5030	1.751	2	112.0093	2.264	3	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.8930	2.342	5	112.8930	5.487	5	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	112.0415	0.838	2	112.0415	0.702	2	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	114.1240	0.000	1	114.1240	0.000	1	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	111.4625	1.146	2	111.4625	1.314	2	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	115.5630	0.000	1	115.5630	0.000	1	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	113.7122	1.811	6	112.7041	3.470	11	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	111.3110	1.185	4	112.7041	3.470	11	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.2280	0.000	1	112.7041	3.470	11	112.6640	3.609	30	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:H-1:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	N(PC[6a]2Pd)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(PC[6a]2Pd)(CC[6a]HH)(H)	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[6]O[6]2O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[6]O[6]2O)(CC[6a]HH)(H)	114.9295	1.201	2	114.9295	1.443	2	115.6520	2.288	3	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[6]O[6]2S)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[6]O[6]2S)(CC[6a]HH)(H)	117.0970	0.000	1	117.0970	0.000	1	115.6520	2.288	3	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	S-4:C-4:H-1:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(SC[3x6]OO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(SC[3x6]OO)(CC[6a]HH)(H)	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	N(CC[6a]HH)(SC[6a]OO)(H)	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	112.5746	3.766	217	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-2:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CN)	114.1255	0.454	4	114.1255	0.206	4	114.1255	0.206	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]C[5]H)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]C[5]H)(CC[6a]HH)(OH)	112.1873	0.469	3	112.1873	0.220	3	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OC)	110.1100	0.000	1	110.1100	0.000	1	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OH)	112.1172	1.670	4	112.1172	2.789	4	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(OH)	110.5320	0.000	1	110.5320	0.000	1	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]CH)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]CH)(OH)	111.2080	0.000	1	111.2080	0.000	1	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]CH)(OH)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]CH)(OH)	112.4080	0.000	1	112.4080	0.000	1	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(OC)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(OC)	112.1115	1.549	2	112.1115	2.400	2	111.8086	1.453	13	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-2:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SC)	114.4640	1.616	2	114.4640	2.613	2	113.5708	2.894	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-2:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SC[6a])	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SC[6a])	112.6775	1.696	2	112.6775	2.878	2	113.5708	2.894	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-2:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC)	111.9105	1.582	2	111.9105	2.502	2	111.9105	2.502	2	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O-2:	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5,5]C[5]C)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5]C)(CC[6a]HH)(OH)	110.9250	0.000	1	110.9250	0.000	1	110.5352	0.089	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O-2:	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5,5]O[5]H)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,5]O[5]H)(CC[6a]HH)(OH)	110.3530	0.000	1	110.3530	0.000	1	110.5352	0.089	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O-2:	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(OC)	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(OC)	110.4315	0.245	2	110.4315	0.060	2	110.5352	0.089	4	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O-2:	C(C[6a]C[6a]2)(NC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:C-2:	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[6]O[6]2O)(CC[6a]HH)(CC)	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	112.2414	2.519	29	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(NCH)	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)(CCHH)(NCH)	115.5155	0.030	2	115.5155	0.001	2	115.4310	0.144	5	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)(NCH)	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)(CH3)(NCH)	115.3747	0.526	3	115.3747	0.276	3	115.4310	0.144	5	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CCH)	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	N(CC[6a]HH)(CCHH)(CCH)	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a,6a]2)(NCS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]2H)(CC[6a]HH)(SCO)	C(C[6a]C[6a,6a]2)(NCS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]2H)(CC[6a]HH)(SCO)	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CCH)	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	2	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CCO)	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	2	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(NCH)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(NCH)	115.8743	0.285	8	115.8743	0.081	8	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(NCH)	112.5870	0.000	1	112.5870	0.000	1	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(NCH)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(NCH)	111.2750	0.000	1	111.2750	0.000	1	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(NCH)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(NCH)	117.2360	0.361	2	112.2729	4.040	25	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(NCH)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(NCH)	111.8413	1.403	23	112.2729	4.040	25	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(NCC)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(NCC)	111.4000	0.146	2	111.4000	0.021	2	112.9859	5.142	37	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-3:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(PNN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PNN)	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(SCO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(SCO)	112.2803	0.943	3	112.2803	0.889	3	112.2803	0.889	3	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	118.0700	0.000	1	118.0700	0.000	1	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCC)	112.0060	0.000	1	112.0060	0.000	1	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCF)	110.3800	0.000	1	110.3800	0.000	1	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCH)	113.8095	0.375	2	113.8095	0.141	2	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCN)	113.3590	0.000	1	113.3590	0.000	1	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCO)	111.2956	1.224	5	111.2956	1.498	5	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	110.6840	0.000	1	110.6840	0.000	1	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	110.7665	0.384	2	110.7665	0.147	2	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CClC)	110.4603	0.600	4	110.4603	0.359	4	111.7761	4.180	18	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:S-3:	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Pd)(CC[6a]HH)(SCO)	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]HH)(SCO)	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	112.8147	4.816	69	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N(CC[6a]HH)(CCHH)(CH3)	115.2250	1.848	4	115.2250	3.413	4	114.6860	2.771	6	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(CH3)	113.6080	0.356	2	113.6080	0.127	2	114.6860	2.771	6	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)2	114.5175	0.883	2	114.5175	0.780	2	114.5175	0.780	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	114.8390	2.282	3	114.8390	5.207	3	114.8390	5.207	3	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN){1|In<6>,1|C<4>,2|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	110.2465	2.125	2	110.2465	4.515	2	111.0228	2.946	5	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	N(CC[6a]HH)(CCHH)2	109.7430	0.000	1	109.7430	0.000	1	111.0228	2.946	5	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	N(CC[6a]HH)3	112.4390	0.645	2	112.4390	0.416	2	111.0228	2.946	5	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN){2|C<4>,2|H<1>,4|C<3>}	N(CC[6a]HH)(CH3)2	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]CH)(CC[6a]HH)2	113.7820	0.000	1	113.7820	0.000	1	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCHH)2	114.0764	0.733	8	114.0764	0.537	8	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CH3)2	112.8920	0.626	2	112.8920	0.392	2	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CHHS)2	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CHHS)2	111.3080	0.000	1	111.3080	0.000	1	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(CCHH)	112.7570	1.511	6	112.7570	2.282	6	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(CH3)	114.7110	0.722	3	114.7110	0.522	3	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)3	114.2595	1.067	6	114.2595	1.139	6	113.6932	1.567	27	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)2	114.7610	0.000	1	114.7610	0.000	1	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(CC[6a]HH)(CCHH)2	115.2110	0.000	1	115.0550	0.419	7	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)2	115.0290	0.705	6	115.0550	0.419	7	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|B<3>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)2	111.2440	0.000	1	113.0075	6.220	2	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|Si<4>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)2	114.7710	0.000	1	113.0075	6.220	2	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)3	114.3530	0.000	1	114.3530	0.000	1	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)2(CH3)	113.3480	1.925	3	113.3480	3.705	3	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)2	112.5235	1.102	2	112.5235	1.215	2	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]HH)3	110.2690	0.000	1	110.2690	0.000	1	113.8749	2.945	17	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,3|C<3>}	N(CC[6a]HH)(SC[6a]OO)2	115.8745	4.018	2	115.8745	16.148	2	115.8745	16.148	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHN){2|H<1>,3|C<3>}	N(C[5]C[5]2H)(CC[6a]HH)2	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){1|S<2>,2|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CH3)	110.0110	0.000	2	113.0680	2.284	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCCH)(CH3)	113.6794	0.547	10	113.0680	2.284	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	112.4510	1.331	2	112.4510	1.771	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CC3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)2(CC3)	112.5365	2.644	4	112.5365	6.989	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	110.4690	0.000	1	110.4690	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)2	111.3618	2.101	4	111.3618	4.414	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CH3)2	112.4408	0.757	6	112.4408	0.573	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<2>}	N(CC[6a]HH)3	113.0820	0.000	1	113.0820	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]CH)(CC[6a]HH)(CH3)	112.7500	0.000	2	112.7500	0.000	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CCCH)(CH3)	112.9420	0.000	2	113.5802	0.404	29	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]HH)(CCCH)(CH3)	113.8049	0.548	14	113.5802	0.404	29	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCCH)(CH3)	113.4365	0.684	13	113.5802	0.404	29	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	113.8282	0.821	4	113.8282	0.673	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)2(CCCH)	114.5919	1.883	8	114.5919	3.546	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CC[6]CH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)2(CC[6]CH)	115.2020	2.720	2	115.2020	7.396	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]HH)2(CH3)	113.0855	0.573	2	113.0855	0.329	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	108.0740	0.000	1	108.0740	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	116.4890	0.000	1	116.4890	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCCH)2	114.0550	0.000	1	114.3585	0.184	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CCCH)2	114.6620	0.000	1	114.3585	0.184	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	115.6230	0.000	1	115.6230	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)	111.4165	0.067	2	111.4165	0.005	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,2|O<2>}	N(CC[6a]HH)(CH3)2	111.8420	0.000	1	111.8420	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,2|O<2>}	N(CC[6a]HH)2(CH3)	111.8600	0.000	1	111.8600	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	114.6182	0.572	4	114.6182	0.328	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|Pt<4>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CH3)2	112.7655	1.112	2	112.7655	1.237	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	111.6543	1.477	3	111.6543	2.180	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	115.2060	1.147	3	115.2060	1.316	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	112.9600	0.000	1	112.9600	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)	115.7900	1.612	4	115.7900	2.598	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	112.8335	0.688	15	112.8335	0.473	15	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(CH3)	109.3295	0.091	2	109.3295	0.008	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	111.8470	0.000	1	111.8470	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)2	113.2685	0.033	2	113.2685	0.001	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCHH)	111.4907	0.255	3	111.4907	0.065	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	112.5978	0.578	6	112.5978	0.334	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|O<2>,2|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)2	113.4320	0.000	1	113.4320	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN){1|N<3>,2|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	116.0907	2.850	4	116.0907	8.120	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCHH)2	112.1397	0.751	3	112.1397	0.565	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CHHP)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHP)2	111.1922	1.088	11	111.1922	1.183	11	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)2(CCHH)	113.8020	4.354	2	113.8020	18.960	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)2(CH3)	113.2020	1.983	4	113.2020	3.934	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	110.3435	0.641	6	110.3435	0.411	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CH3)	112.6717	1.223	3	112.6717	1.496	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)2	110.4853	0.733	6	111.9815	5.045	11	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	113.7770	2.134	5	111.9815	5.045	11	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	113.7838	0.736	9	113.7838	0.541	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CHHN)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHN)(CH3)	114.7375	2.217	2	114.7375	4.914	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CHHP)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHP)(CH3)	114.8225	0.062	2	114.8225	0.004	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)3	112.3490	0.022	3	112.2488	1.973	13	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	112.7774	1.050	7	112.2488	1.973	13	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	110.9150	2.206	3	112.2488	1.973	13	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[5a]HH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[5a]HH)(CC[6a]HH)(CCHH)	114.5730	0.000	1	114.5730	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[5a]HH)2(CC[6a]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[5a]HH)2(CC[6a]HH)	112.6960	0.000	1	112.6960	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CH3)	111.3170	0.000	1	111.3170	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(CH3)	111.1830	0.000	1	111.5131	1.134	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	110.3247	0.527	3	111.5131	1.134	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]HH)(CCHH)(CH3)	110.8850	0.000	1	111.5131	1.134	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(CH3)	111.9610	0.722	6	111.5131	1.134	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	113.3490	0.000	1	111.5131	1.134	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]HH)(CCHH)2	113.5040	0.000	1	112.8813	2.915	31	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CCHH)2	112.1610	0.000	1	112.8813	2.915	31	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)2	113.5086	1.054	7	112.8813	2.915	31	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	112.6991	1.912	17	112.8813	2.915	31	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(CCHH)2	112.6420	2.109	5	112.8813	2.915	31	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6]HH)2	111.8480	0.000	1	111.8480	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCCH)	112.5440	0.492	2	112.5440	0.242	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(CCHH)	112.5080	0.251	4	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]HH)2(CCHH)	112.6440	0.608	4	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)2(CCHH)	112.2280	0.000	1	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCHH)	112.5531	1.179	18	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)	112.4497	1.506	9	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)2(CCHH)	110.4920	4.127	2	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,2|C<3>}	N(CC[6a]HH)2(CCHH)	111.8854	1.503	8	112.3240	1.906	46	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CC[5]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CC[5]HH)	113.1140	0.440	4	113.1140	0.194	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(CH3)	111.7370	0.676	2	111.9244	0.400	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)2(CH3)	111.3700	0.841	2	111.9244	0.400	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CH3)	112.2212	0.477	5	111.9244	0.400	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	N(CC[6a]HH)3	112.2303	1.377	3	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)3	109.8290	0.000	1	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)3	112.6018	1.010	26	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	111.4336	0.738	5	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)3	112.3470	0.000	1	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	N(CC[6a]HH)3	112.6781	2.169	12	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	114.0297	2.340	3	112.5080	2.297	51	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	113.3832	1.444	17	113.3832	2.085	17	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)(CHHS)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHS)2	114.5107	1.131	3	114.5107	1.279	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	111.4193	1.296	8	111.4193	1.680	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)2	113.8115	1.397	4	113.3358	2.595	5	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	111.4330	0.000	1	113.3358	2.595	5	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CH3)2	113.6530	0.000	1	113.6530	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)	111.9060	0.000	1	111.9060	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)2	114.4815	0.876	2	114.4815	0.768	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)3	114.4405	2.781	2	114.4405	7.734	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5,5,6]HH)(CC[6a]HH)(CCCH)	113.1815	1.300	2	113.1815	1.691	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)(CHHN)	109.7370	0.000	1	109.7370	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]C[6a]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)2	111.9650	0.000	1	111.9650	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]HH)(CCHH)	112.3050	0.468	2	112.3050	0.219	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]HH)(CHHN)	112.8630	0.000	1	112.8630	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]HH)2	112.1330	1.030	4	112.1330	1.062	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CC)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]HH)2	113.3860	0.290	2	113.3860	0.084	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CC[6a]HH)(CCCH)	111.6850	0.000	1	112.6700	1.018	19	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCCH)	112.7247	1.009	18	112.6700	1.018	19	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	112.7293	0.700	4	112.7293	0.490	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	112.6765	1.292	4	112.6765	1.670	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CH3)	113.5065	0.657	2	113.5065	0.432	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	112.5586	1.004	12	112.5586	1.009	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)	113.0158	1.318	6	113.0158	1.736	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[3]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(CC[6a]HH)2	112.8800	0.293	2	112.8800	0.086	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[5]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]HH)2	112.0550	2.690	2	112.0550	7.235	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CCHH)	110.4490	0.000	1	110.4490	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(CH3)	112.6190	0.000	1	112.6190	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCCH)2	113.4860	0.000	1	113.6835	0.078	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)2	113.8810	0.000	1	113.6835	0.078	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(CH3)	116.4680	0.000	1	114.0646	2.714	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CCHH)(CH3)	113.1105	1.340	2	114.0646	2.714	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<4>}	N(CC[6a]HH)(CCHH)(CH3)	112.4290	1.107	2	114.0646	2.714	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CH3)	114.6198	1.314	5	114.0646	2.714	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CHHN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CHHN)	112.8790	0.000	1	112.8790	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)2	112.1710	0.621	2	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]HH)(CCHH)2	115.4010	0.383	2	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CCHH)2	112.3574	2.601	5	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCHH)2	112.6633	0.941	6	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2	113.4519	1.540	61	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|N<3>}	N(CC[6a]HH)(CCHH)2	112.0005	1.930	6	113.2376	2.747	82	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]CC)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]CC)(CH3)	111.8250	0.000	1	111.8250	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)2	112.0300	1.362	2	112.0300	1.855	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(CC3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6]HH)(CC3)	112.3740	0.000	1	112.3740	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)2	114.2110	0.458	2	114.2110	0.210	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]HP)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]HP)(CCHH)	112.4020	0.000	1	112.4020	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	113.2290	0.000	1	113.3597	0.862	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CH3)2	114.1120	0.349	2	113.3597	0.862	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	112.9017	1.098	3	113.3597	0.862	6	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHN)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHN)2	112.5978	1.509	5	112.5978	2.278	5	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHP)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHP)2	113.0032	2.125	75	113.0032	4.514	75	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHS)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHS)2	116.1310	0.000	1	116.1310	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[5a]HH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[5a]HH)(CH3)	111.7110	0.000	1	111.7110	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCCH)	112.6211	1.629	52	112.6604	2.830	59	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CCCH)	112.9530	2.165	7	112.6604	2.830	59	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)2(CCHH)	112.2763	1.551	3	112.6174	1.612	99	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCHH)	113.7630	0.615	2	112.6174	1.612	99	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)	112.6369	1.262	92	112.6174	1.612	99	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)2(CCHH)	111.0860	0.380	2	112.6174	1.612	99	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHP)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHP)	111.8060	1.084	4	111.8060	1.174	4	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[3]CH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[3]CH)	112.8508	0.575	8	112.8508	0.330	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[3]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[3]HH)	112.8540	0.148	2	112.8540	0.022	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[5]CH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[5]CH)	111.4090	0.099	2	111.4090	0.010	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[5]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[5]HH)	112.1637	1.494	12	112.1637	2.232	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6]CH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6]CH)	112.4710	0.522	2	112.4710	0.272	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6]HH)	112.9924	0.633	14	113.2051	1.606	24	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CC[6]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CC[6]HH)	113.5030	1.832	10	113.2051	1.606	24	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(CH3)	114.2402	1.265	6	113.7218	1.913	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)	112.6850	1.110	3	113.7218	1.913	9	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CHHP)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CHHP)	113.2556	2.067	8	113.2556	4.272	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CLuNN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CLuNN)	115.6380	0.038	2	115.6380	0.001	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CN[5a]HH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CN[5a]HH)	112.1442	0.287	8	112.1442	0.082	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)3	111.7873	0.382	3	112.7774	3.266	27	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)3	112.5640	0.030	3	112.7774	3.266	27	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)3	114.0550	0.000	1	112.7774	3.266	27	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	112.5635	1.995	16	112.7774	3.266	27	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3	114.2163	1.935	4	112.7774	3.266	27	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]In)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]In)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	111.6030	0.000	1	111.6030	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)2	111.8135	1.005	2	111.8135	1.010	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	N(CC[6a]HH)3	110.8640	0.000	1	110.8640	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	N(CC[5a]C[6a]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)2	115.4010	0.000	1	115.4010	0.000	1	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCCH)	111.4640	3.610	2	111.4640	13.036	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	114.4845	0.194	2	114.4845	0.038	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	112.0447	1.869	4	112.4771	1.418	17	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	112.6101	0.967	13	112.4771	1.418	17	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)	111.9477	1.309	10	111.9477	1.713	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)3	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3	114.0897	1.017	12	114.0897	1.034	12	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	108.4563	0.298	6	110.6682	5.431	13	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	112.5640	1.305	7	110.6682	5.431	13	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]HH)(CH3)2	111.9331	0.643	8	111.9331	0.413	8	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCCH)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCCH)	111.0765	1.074	2	111.0765	1.154	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2	111.8846	1.982	5	112.2361	2.076	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	112.5876	0.661	5	112.2361	2.076	10	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2	113.2910	0.911	3	113.2910	0.829	3	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]N[6a]N)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	N(CC[6a]HH)(CCHH)(CH3)	113.7095	0.538	2	113.7095	0.290	2	112.7853	2.699	1009	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-4:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(NH3)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(NH3)	113.6140	3.940	2	113.6140	15.524	2	113.6140	15.524	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PN3)	111.0960	0.000	1	111.0960	0.000	1	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)2(PC[6a]2O)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PC[6a]2O)	114.0280	0.000	1	114.0280	0.000	1	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(PHNN)	111.2870	0.000	1	111.2870	0.000	1	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(PCHW)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PCHW)	113.9180	1.421	2	113.9180	2.020	2	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(PC[6a]2O)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PC[6a]2O)	116.8110	0.000	1	116.8110	0.000	1	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PNNO)	113.7935	1.279	18	113.7935	1.637	18	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(POOS)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(POOS)	113.0160	1.604	2	113.0160	2.572	2	113.6682	2.239	26	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	114.7060	2.249	2	114.7060	5.056	2	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(SC[6a]OO)	113.8625	0.138	2	113.8625	0.019	2	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|C<4>}	N(CC[6a]HH)2(SC[6a]OO)	112.4868	1.009	4	112.4868	1.019	4	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	113.7100	0.000	1	113.7100	0.000	1	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(SNOO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(SNOO)	111.9300	0.000	1	111.9300	0.000	1	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[5a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[5a]CH)(SC[6a]OO)	114.2920	0.000	1	114.2920	0.000	1	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SCOO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SCOO)	113.9850	2.231	4	113.9850	4.978	4	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SC[6a]OO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SC[6a]OO)	114.1765	0.897	2	114.1765	0.805	2	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(SNOO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(SNOO)	113.4840	2.025	4	113.4840	4.102	4	113.5831	2.415	21	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNNO)(CH3)	114.0652	0.986	11	114.0652	0.972	11	114.3203	1.182	16	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNOO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNOO)(CH3)	114.5340	2.273	2	114.5340	5.165	2	114.3203	1.182	16	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNiNN)(CCHH)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNiNN)(CCHH)	115.1133	0.283	3	115.1133	0.080	3	114.3203	1.182	16	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	110.7590	0.000	1	110.7590	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	115.9290	0.000	1	114.3165	5.200	2	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	112.7040	0.000	1	114.3165	5.200	2	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[5]HH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[5]HH)	113.2790	0.000	1	113.2790	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCCH)	114.3450	0.000	1	114.3450	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCCH)	114.9270	0.707	2	114.9270	0.500	2	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	110.8798	1.117	6	111.7627	2.099	11	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	112.5580	0.000	1	111.7627	2.099	11	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHH)	112.8882	1.208	4	111.7627	2.099	11	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CCHO)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CCHO)	113.9640	0.000	1	113.9640	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[6]HH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6]HH)	109.7210	0.000	1	109.7210	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CH3)	110.9343	0.931	3	110.9343	0.866	3	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CN[5]CH)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CN[5]CH)	114.9420	0.000	1	114.9420	0.000	1	112.4038	3.599	24	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SCOO)2	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SCOO)2	113.7460	0.000	1	113.7460	0.000	1	113.8030	0.063	4	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)2	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)2	113.8220	0.304	3	113.8220	0.092	3	113.8030	0.063	4	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	113.4380	0.000	1	113.4380	0.000	1	114.5247	1.435	3	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	114.3270	0.000	1	114.3270	0.000	1	114.5247	1.435	3	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	115.8090	0.000	1	115.8090	0.000	1	114.5247	1.435	3	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x4]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[3x4]C[4,4]3)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[3x4]C[4,4]3)(CC[6a]HH)2	113.4615	0.904	2	113.4615	0.818	2	113.4615	0.818	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]C[4]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]C[4]2H)(CC[6a]HH)(CH3)	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]C[4]2C)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]C[4]2C)(CC[6a]HH)(SC[6a]OO)	112.3390	0.000	1	112.3390	0.000	1	112.1760	0.053	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[4]C[4]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[4]C[4]2H)(CC[6a]HH)(SC[6a]OO)	112.0130	0.000	1	112.0130	0.000	1	112.1760	0.053	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)2	114.6780	0.000	1	114.6780	0.000	1	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)2	120.0010	0.000	1	120.0010	0.000	1	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[3,5]C[5]H)(CC[6a]HH)2	112.1690	0.745	8	112.1690	0.555	8	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5,6a]C[5]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[6a]HH)2	112.4200	0.332	2	112.4200	0.110	2	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	112.4090	0.000	1	112.3174	1.006	9	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	112.3060	1.072	8	112.3174	1.006	9	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(CC[4]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(CC[4]HH)	113.4960	0.000	1	113.4960	0.000	1	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)2	112.8899	0.673	9	112.8899	0.453	9	112.8140	2.572	31	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	109.3350	0.000	1	109.3350	0.000	1	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	112.5930	0.000	1	112.5930	0.000	1	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|C<2>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	113.6825	0.023	2	113.6825	0.001	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.7750	0.000	1	112.7750	0.000	1	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	111.0730	0.000	1	112.1100	2.151	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	113.1470	0.000	1	112.1100	2.151	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.2820	0.049	2	111.6956	0.585	12	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)2	111.5070	0.129	2	111.6956	0.585	12	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)2	110.5610	1.078	2	111.6956	0.585	12	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)2	111.9412	0.558	6	111.6956	0.585	12	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	112.0545	0.234	2	112.0545	0.055	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	112.1285	1.829	2	112.1285	3.346	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	112.5265	0.275	2	112.5265	0.076	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	112.3230	0.728	4	113.1014	2.935	8	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	113.8798	2.168	4	113.1014	2.935	8	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	110.9690	0.245	2	110.9690	0.060	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	111.0870	1.819	2	111.0870	3.308	2	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	113.6922	0.746	6	113.6922	0.556	6	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.6542	1.743	45	112.6542	3.038	45	112.5065	2.474	88	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-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)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6]C[6]2H)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)2(CC[6a]HH)	110.6770	0.000	1	110.6770	0.000	1	111.7005	2.095	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-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)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]2H)2(CC[6a]HH)	112.7240	0.000	1	112.7240	0.000	1	111.7005	2.095	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(PC[6a]2Pd)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]HH)2	112.2270	0.000	1	112.2270	0.000	1	112.3145	0.015	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Pd)(CC[6a]HH)2	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]HH)2	112.4020	0.000	1	112.4020	0.000	1	112.3145	0.015	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:S-4:	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Rh)(CC[6a]HH)(SRhCO)	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Rh)(CC[6a]HH)(SRhCO)	116.1275	0.460	2	116.1275	0.212	2	116.1275	0.212	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Fe)2(CC[6a]HH)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Fe)2(CC[6a]HH)	115.8730	0.000	1	115.8730	0.000	1	114.1008	1.105	5	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:P-4:C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(PC[6a]2Ni)2(CC[6a]HH)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(PC[6a]2Ni)2(CC[6a]HH)	113.6577	0.406	4	113.6577	0.164	4	114.1008	1.105	5	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	113.1640	1.350	6	113.1640	1.822	6	113.1640	1.822	6	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NSi[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(Si[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NSi[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(Si[5]C[5]2H)(CC[6a]HH)2	116.0535	2.032	2	116.0535	4.127	2	116.0535	4.127	2	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	N(CC[6a]HH)(CH3)2	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	N(CC[6a]HH)(CH3)2	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	112.8845	2.798	1315	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:1:1:	3:3:4:	5:4:1:	N-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]HH)(H)	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]HH)(H)	110.5337	0.904	4	110.5337	0.816	4	110.5337	0.816	4	110.5337	0.816	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.0801	2.226	7	112.0801	4.956	7	112.0801	4.956	7	109.7947	11.998	13	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO)	N(N[5a]C[5a]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]HO)(H)	104.5485	1.070	2	104.5485	1.145	2	107.1283	7.005	6	109.7947	11.998	13	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(N[5a]C[5a]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,1|H<1>,1|N<3>}	N(N[5a]C[5a]2)(CC[6a]HO)(H)	107.6330	1.805	3	108.4183	4.638	4	107.1283	7.005	6	109.7947	11.998	13	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	N(N[5a]C[5a]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]HO)(H)	110.7740	0.000	1	108.4183	4.638	4	107.1283	7.005	6	109.7947	11.998	13	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	112.7770	2.808	3	112.7770	7.888	3	112.7770	7.888	3	112.7770	7.888	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN){2|C<3>}	N(CC[6a]CH)2(H)	109.7368	1.964	4	109.7368	3.857	4	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	111.1000	0.000	1	111.1000	0.000	1	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(H)	112.4640	0.000	1	112.4640	0.000	1	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	110.2595	0.709	2	110.2595	0.503	2	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	108.3020	0.000	1	108.3020	0.000	1	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	111.4710	0.000	1	111.4710	0.000	1	110.2803	2.670	10	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	109.5080	0.000	1	109.5080	0.000	1	109.3150	0.074	2	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	109.1220	0.000	1	109.1220	0.000	1	109.3150	0.074	2	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5,6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[6a]CH)(H)	110.1955	0.576	2	110.1955	0.332	2	110.1955	0.332	2	110.1303	2.000	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(OC)	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OC)	106.7070	0.000	1	106.7070	0.000	1	108.9685	10.229	2	108.9685	10.229	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OH)	111.2300	0.000	1	111.2300	0.000	1	108.9685	10.229	2	108.9685	10.229	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)2	110.5830	0.000	1	110.5830	0.000	1	110.9845	0.248	4	111.4195	2.292	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	111.1960	0.000	1	111.1960	0.000	1	110.9845	0.248	4	111.4195	2.292	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(CH3)	111.0795	0.722	2	111.0795	0.521	2	110.9845	0.248	4	111.4195	2.292	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	110.9350	1.349	3	110.9350	1.819	3	110.9350	1.819	3	111.4195	2.292	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(NCS)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS)	N(CC[6a]HS)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)(NCS)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS){2|H<1>,3|C<3>}	N(CC[6a]HS)(SC[6a]OO)(CH3)	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	111.4195	2.292	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	112.4345	1.223	2	112.4345	1.495	2	112.4345	1.495	2	112.4345	1.495	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:2:4:	4:4:1:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]HH)(H)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	N(CC[5a]C[6a]H)(CC[6a]HH)(H)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.1947	0.010	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:2:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	110.2495	0.032	2	110.2495	0.001	2	110.2495	0.001	2	110.1947	0.010	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	115.2130	0.000	1	115.2130	0.000	1	113.6530	4.867	2	112.6976	5.782	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	112.0930	0.000	1	112.0930	0.000	1	113.6530	4.867	2	112.6976	5.782	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	114.5810	0.000	1	114.5810	0.000	1	111.8475	14.944	2	112.6976	5.782	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	109.1140	0.000	1	109.1140	0.000	1	111.8475	14.944	2	112.6976	5.782	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(N[5a]C[5a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(N[5a]C[5a]2)(CC[6a]CH)(H)	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.6976	5.782	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	109.9865	2.313	2	109.9865	5.350	2	111.8037	12.581	3	111.8037	12.581	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	115.4380	0.000	1	115.4380	0.000	1	111.8037	12.581	3	111.8037	12.581	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	112.5000	0.000	1	112.5000	0.000	1	112.4960	0.000	2	112.4960	0.000	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	112.4920	0.000	1	112.4920	0.000	1	112.4960	0.000	2	112.4960	0.000	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(H)2	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	109.7580	1.933	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(H)2	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	109.7580	1.933	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CNO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CNO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	109.7250	0.000	1	109.7250	0.000	1	108.8280	0.879	3	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	108.3795	0.742	2	108.3795	0.550	2	108.8280	0.879	3	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	112.3607	3.562	3	112.3607	12.690	3	111.7402	8.132	5	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]O)(H)	112.2690	0.000	1	112.2690	0.000	1	111.7402	8.132	5	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]O)(H)	109.3500	0.000	1	109.3500	0.000	1	111.7402	8.132	5	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HN){2|H<1>,3|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	110.9320	0.000	1	110.9320	0.000	1	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	108.7300	2.244	2	108.7300	5.037	2	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	113.8240	0.000	1	113.8240	0.000	1	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2H)(SCO)(H)	110.7645	2.648	2	110.7645	7.013	2	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	110.9940	0.737	2	110.9940	0.543	2	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SCO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SCO)(H)	110.2335	2.494	6	110.2335	6.221	6	110.5096	4.788	14	110.4437	4.827	25	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.2700	0.238	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	N[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	113.2700	0.238	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	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)	N(CC[6a]C[5]H)(CC[6a]HH)(H)	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>}	N(CC[6a]C[5]H)(CC[6a]HH)(H)	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CCCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CCCH)(H)	107.4560	0.000	1	107.4560	0.000	1	112.3290	47.492	2	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CCCH)(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CCCH)(H)	117.2020	0.000	1	117.2020	0.000	1	112.3290	47.492	2	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(CC[6a]CH)(CCCH)(H)	110.8760	0.758	2	110.8760	0.575	2	110.8760	0.575	2	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CClC)(NCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CClC)(NCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCHH)(H)	114.3310	0.000	1	114.3310	0.000	1	111.8475	1.188	8	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	111.4847	0.286	3	111.4847	0.082	3	111.8475	1.188	8	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]HH)(H)	111.1050	0.000	1	111.1050	0.000	1	111.8475	1.188	8	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHN)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHN)(H)	111.3980	0.000	1	111.3980	0.000	1	111.8475	1.188	8	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]3)(H)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]3)(H)	111.7460	0.904	2	111.7460	0.817	2	111.8475	1.188	8	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	110.3280	0.000	1	110.3280	0.000	1	110.8867	2.284	12	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	110.1103	1.456	6	110.1103	2.119	6	110.8867	2.284	12	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.9160	0.000	1	112.9160	0.000	1	110.8867	2.284	12	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	110.4480	0.000	1	110.4480	0.000	1	110.8867	2.284	12	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.0953	0.976	3	112.0953	0.954	3	110.8867	2.284	12	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(CN[6]O)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[5]N[5]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[6]O)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[5]N[5]2O)(CC[6a]CH)(H)	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CCHH)(H)	110.4690	0.000	1	110.4690	0.000	1	110.6819	0.685	14	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]CH)(H)	110.8902	0.362	11	110.8902	0.131	11	110.6819	0.685	14	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]CH)(H)	108.0760	0.000	1	108.0760	0.000	1	110.6819	0.685	14	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]CH)(H)	111.2100	0.000	1	111.2100	0.000	1	110.6819	0.685	14	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)(H)	108.2250	0.000	1	108.2250	0.000	1	109.1969	1.040	16	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(H)	108.9211	0.541	11	108.9211	0.293	11	109.1969	1.040	16	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[5]CH)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[5]CH)(H)	110.7035	2.198	2	110.7035	4.833	2	109.1969	1.040	16	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(H)	109.6930	1.011	2	109.6930	1.022	2	109.1969	1.040	16	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	N(CC[6a]2H)(SC[6a]OO)(H)	109.1290	0.277	2	109.1290	0.077	2	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(SC[6a]OO)(H)	112.9520	1.181	2	112.9520	1.394	2	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	112.0790	1.881	2	112.0790	3.538	2	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	106.1790	0.000	1	106.1790	0.000	1	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	111.1355	0.040	2	111.1355	0.002	2	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	N(CC[6a]2H)(SC[6a]OO)(H)	108.1890	0.225	2	109.2108	5.310	8	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	109.5513	2.620	6	109.2108	5.310	8	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(H)	113.8580	2.499	3	113.8580	6.246	3	110.6015	7.465	20	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){2|Cl<1>,1|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	109.0800	0.000	1	109.0800	0.000	1	111.6490	13.200	2	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	114.2180	0.000	1	114.2180	0.000	1	111.6490	13.200	2	110.5829	4.232	78	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC3)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC3)(OB)	109.8915	0.255	2	109.8915	0.065	2	109.8915	0.065	2	109.8915	0.065	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(CCN)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]HH)(NCH)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	112.5702	10.815	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]HH)(SCO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]HH)(SCO)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	112.5702	10.815	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]HH)(SCO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]HH)(SCO)	117.8140	0.000	1	117.8140	0.000	1	114.3610	9.124	3	112.5702	10.815	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	N(CC[6a]2H)(CH3)(SCO)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2H)(CH3)(SCO)	112.2080	0.000	1	112.2080	0.000	1	114.3610	9.124	3	112.5702	10.815	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CH3)(SCO)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	N(CC[6a]2H)(CH3)(SCO)	113.0610	0.000	1	113.0610	0.000	1	114.3610	9.124	3	112.5702	10.815	5	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CHHN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)(CHHN)	110.7450	0.000	1	110.7450	0.000	1	110.8855	0.039	2	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(CC[6a]HH)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]HH)2	111.0260	0.000	1	111.0260	0.000	1	110.8855	0.039	2	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(SC[6a]OO)(CCCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(SC[6a]OO)(CCCH)	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(CC[6a]CH)(SC[6a]OO)(CCHH)	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCHH)	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CH3)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CH3)2	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CH3)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)2	112.9270	0.000	1	112.9270	0.000	1	111.4179	4.297	18	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CH3)2	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)2	110.6290	0.000	1	110.6290	0.000	1	111.4179	4.297	18	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCHH)2	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)2	113.1780	3.135	4	113.1780	9.826	4	111.4179	4.297	18	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CH3)2	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)2	112.7060	0.000	1	112.7060	0.000	1	111.4179	4.297	18	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CHHP)2	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CHHP)2	110.5953	1.385	11	110.5953	1.918	11	111.4179	4.297	18	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]2H)(SC[6a]OO)(CCCH)	111.8750	0.000	1	111.9950	0.029	2	111.4267	0.523	4	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	N(CC[6a]2H)(SC[6a]OO)(CCCH)	112.1150	0.000	1	111.9950	0.029	2	111.4267	0.523	4	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]OO)(CCCH)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]OO)(CCCH)	110.8585	0.500	2	110.8585	0.250	2	111.4267	0.523	4	111.2970	2.933	28	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6a](C[6a]C[6a]H)2(CC[6]NO)	N(CC[6a]C[6]O)(CH3)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6a](C[6a]C[6a]H)2(CC[6]NO){1|C<3>,2|H<1>}	N(CC[6a]C[6]O)(CH3)2	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	110.0820	6.639	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CH3)2	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CH3)2	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	110.0820	6.639	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	108.2017	2.652	3	108.2017	7.032	3	108.2017	7.032	3	108.2017	7.032	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:F-1:F-1:	C(C[6a]C[6a]2)3(NFF)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(F)2	C(C[6a]C[6a]2)3(NFF)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(F)2	107.1040	4.924	3	107.1040	24.248	3	107.1040	24.248	3	108.1496	3.299	36	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N)	N(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N){1|C<3>,2|C<4>}	N(CC[6a]3)(H)2	107.3280	0.080	4	107.3280	0.006	4	108.2447	1.981	33	108.1496	3.299	36	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(H)2	108.3711	1.458	29	108.3711	2.127	29	108.2447	1.981	33	108.1496	3.299	36	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CNS)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CNS)(H)	108.5020	2.814	3	108.5020	7.921	3	108.5020	7.921	3	108.5020	7.921	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)2(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CH3)(H)	C(C[6a]C[6a]2)2(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CH3)(H)	109.8590	0.177	4	109.8590	0.031	4	109.8590	0.031	4	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[5a]CH)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[5a]CH)(CC[6a]3)(H)	108.9397	2.163	9	108.9397	4.676	9	109.0414	3.559	69	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[5a]HH)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]3)(H)	108.7277	0.844	3	108.7277	0.712	3	109.0414	3.559	69	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CCCH)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CCCH)(H)	109.1875	1.983	42	109.1875	3.933	42	109.0414	3.559	69	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CCHH)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CCHH)(H)	108.5578	1.207	9	108.5578	1.458	9	109.0414	3.559	69	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]CH)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]3)(H)	109.0533	2.319	6	109.0533	5.377	6	109.0414	3.559	69	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)3(NC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(C[5]C[5,6a]C[5]H)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[6a]3)(H)	108.8933	2.745	3	108.8933	7.537	3	108.8933	7.537	3	109.0786	3.465	76	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:4:	3:3:4:	4:3:1:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	2:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	107.3105	0.606	2	107.3105	0.367	2	107.3105	0.367	2	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	115.4130	0.000	1	115.4130	0.000	1	115.4130	0.000	1	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.6340	0.000	1	112.6340	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.3680	0.000	1	113.3680	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.1090	0.000	1	112.1090	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.4800	0.000	1	113.4800	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	115.0570	0.000	1	115.0570	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	109.4405	0.493	2	109.4405	0.243	2	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.1130	0.000	1	114.1130	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	108.1710	0.000	1	108.1710	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.7277	2.083	7	112.7277	4.340	7	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	111.9840	0.000	1	111.9840	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.3020	1.293	2	114.3020	1.671	2	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	110.5650	0.000	1	110.5650	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	112.6670	0.000	1	112.6670	0.000	1	112.4156	4.359	21	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	115.5890	0.137	2	115.5890	0.019	2	115.5890	0.019	2	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	112.5039	6.891	27	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	115.2310	0.000	1	115.2310	0.000	1	115.0705	0.052	2	115.0705	0.052	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	114.9100	0.000	1	114.9100	0.000	1	115.0705	0.052	2	115.0705	0.052	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5]2Fe)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]CH)(H)	112.2645	0.223	2	112.2645	0.050	2	112.2763	0.025	3	111.5973	1.832	11	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	112.3000	0.000	1	112.3000	0.000	1	112.2763	0.025	3	111.5973	1.832	11	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]CH)(H)	109.4490	0.000	1	109.4490	0.000	1	111.3209	2.724	7	111.5973	1.832	11	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	111.6328	1.566	6	111.6328	2.451	6	111.3209	2.724	7	111.5973	1.832	11	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[6]O[6]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[6]O[6]2O)(CC[6a]CH)(H)	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.5973	1.832	11	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(CC[6a]HH)	110.4332	2.163	9	110.4332	4.680	9	110.4332	4.680	9	111.7316	9.989	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	113.4320	0.000	1	113.4320	0.000	1	112.4359	12.619	11	111.7316	9.989	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	109.7560	1.164	2	109.7560	1.355	2	112.4359	12.619	11	111.7316	9.989	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	112.9814	3.912	8	112.9814	15.300	8	112.4359	12.619	11	111.7316	9.989	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:S-4:	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	111.7316	9.989	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:2:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:2:	3:3:4:	4:4:4:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:2:4:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	N(CC[6a]2C)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	N(CC[6a]2C)(H)2	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	3:4:2:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	3:4:4:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(H)2	109.6010	0.000	1	109.6010	0.000	1	108.9973	0.858	3	108.9973	0.858	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)2(CCCH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CCCH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(H)2	108.6955	1.081	2	108.6955	1.169	2	108.9973	0.858	3	108.9973	0.858	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CCC)(H)	C(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CCC)(H)	106.5905	2.955	2	106.5905	8.732	2	108.4990	7.032	6	108.4990	7.032	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC[6a]O)(H)	109.4532	2.273	4	109.4532	5.167	4	108.4990	7.032	6	108.4990	7.032	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[5a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	105.1825	1.281	2	105.1825	1.640	2	105.1825	1.640	2	105.1825	1.640	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:4:	3:2:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	110.1900	0.288	2	110.1900	0.083	2	110.1900	0.083	2	110.1900	0.083	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:2:4:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	112.7885	0.513	2	112.7885	0.263	2	112.7885	0.263	2	112.7885	0.263	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:2:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:2:4:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OH)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:2:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.0230	0.000	1	114.0230	0.000	1	114.1593	0.550	4	114.1593	0.550	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	114.4845	1.076	2	114.4845	1.157	2	114.1593	0.550	4	114.1593	0.550	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	113.6450	0.000	1	113.6450	0.000	1	114.1593	0.550	4	114.1593	0.550	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	3:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-3:P-4:C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]N[5])(PC[6a]2Pd)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]N[5])(PC[6a]2Pd)(CC[6a]CH)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(H)2	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	114.4930	0.000	1	114.4930	0.000	1	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	113.6700	1.329	2	113.6700	1.767	2	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	111.9220	0.000	1	111.9220	0.000	1	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	114.3590	0.000	1	114.3590	0.000	1	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	110.6370	2.326	2	110.6370	5.412	2	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	114.2817	2.086	7	114.2817	4.352	7	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	112.9490	3.169	2	112.9490	10.044	2	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	N(CC[6a]CH)(H)2	110.6120	0.000	1	110.6120	0.000	1	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)2	110.8997	1.338	3	110.8997	1.789	3	112.9284	4.977	20	112.8879	4.762	21	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN){2|H<1>,5|C<3>}	N(CC[6a]CH)(SCO)(H)	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(SCO)(H)	110.8580	0.000	1	110.8580	0.000	1	110.8580	0.000	1	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	111.0460	0.000	1	111.0460	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	113.9050	0.000	1	113.9050	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)(H)	114.5600	0.000	1	114.5600	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	114.0300	0.000	1	114.0300	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNO)(H)	110.4830	0.000	1	110.4830	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNS)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNS)(H)	112.4170	0.000	1	112.4170	0.000	1	112.7402	2.880	6	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NCH)(H)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(SCO)(H)	110.5970	0.000	1	110.5970	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	109.4070	0.000	1	109.4070	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	113.4800	0.000	1	113.4800	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(SCO)(H)	112.0560	0.000	1	112.0560	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	113.0198	2.716	5	113.0198	7.379	5	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.5290	0.000	1	111.5290	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	N(CC[6a]CH)(SCO)(H)	109.0315	1.027	2	109.0315	1.056	2	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(SCO)(H)	112.1305	1.899	2	111.6978	2.587	6	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.4815	1.710	4	111.6978	2.587	6	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]O)(H)	117.7430	0.000	1	117.7430	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	109.7190	0.000	1	109.7190	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.9325	0.486	2	111.9325	0.236	2	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	112.1270	1.859	4	112.1270	3.455	4	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	112.3750	0.000	1	112.3750	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	112.1590	0.791	2	112.1590	0.625	2	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.4490	0.000	1	111.4490	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	109.9660	0.000	1	109.9660	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	109.8800	1.068	2	109.8800	1.140	2	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.4400	0.000	1	111.4400	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]O)(H)	115.7700	0.000	1	115.7700	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)(H)	111.7200	0.000	1	111.7200	0.000	1	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SCO)(H)	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(SCO)(H)	116.5990	1.032	2	116.5990	1.066	2	112.1118	5.398	38	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(SCO)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HN){2|H<1>,3|C<3>}	N(CC[6a]C[5]H)(SCO)(H)	111.9933	0.848	3	111.9933	0.720	3	111.9933	0.720	3	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN){1|H<1>,2|C<3>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	113.5680	0.000	1	113.5680	0.000	1	113.6250	0.065	3	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	113.9030	0.000	1	113.9030	0.000	1	113.6250	0.065	3	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	113.4040	0.000	1	113.4040	0.000	1	113.6250	0.065	3	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SCO)(H)	112.2750	0.000	1	112.2750	0.000	1	112.4594	1.318	7	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SCO)(H)	112.4358	1.395	5	112.4358	1.945	5	112.4594	1.318	7	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SCO)(H)	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SCO)(H)	112.7620	0.000	1	112.7620	0.000	1	112.4594	1.318	7	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	N(CC[6a]SiH)(SCO)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	N(CC[6a]SiH)(SCO)(H)	112.8610	0.000	1	112.8610	0.000	1	112.5440	0.201	2	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	N(CC[6a]SiH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	N(CC[6a]SiH)(SC[6a]O)(H)	112.2270	0.000	1	112.2270	0.000	1	112.5440	0.201	2	112.2505	4.207	63	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)(OC)	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)(OC)	110.3595	0.555	2	110.3595	0.308	2	110.3595	0.308	2	110.3595	0.308	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]CH)(H)	115.6147	0.472	3	115.6147	0.223	3	115.6147	0.223	3	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(PC[6a]OS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(PC[6a]OS)(H)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(H)	115.2003	0.240	3	115.2003	0.058	3	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	109.2210	0.000	1	109.2210	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	107.8300	0.000	1	107.8300	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	109.7490	0.000	1	109.7490	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	110.2790	0.000	1	110.2790	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	110.0520	0.000	1	110.0520	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)	115.4260	0.000	1	115.4260	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	109.1250	0.934	6	109.1250	0.872	6	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	109.0845	2.258	6	109.0845	5.098	6	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)	109.8050	0.000	1	109.8050	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)	110.2640	0.000	1	110.2640	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	110.5830	0.000	1	110.5830	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)	113.9600	0.000	1	113.9600	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(H)	111.1850	0.000	1	113.1412	1.113	15	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CCCH)(H)	113.2809	0.940	14	113.1412	1.113	15	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	112.2470	2.319	2	112.2470	5.379	2	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)2(H)	113.8120	0.000	1	112.0457	2.356	3	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	111.1625	0.182	2	112.0457	2.356	3	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	109.7530	0.000	1	109.7530	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]HH)(H)	113.8525	3.188	2	113.8525	10.166	2	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)	116.6230	0.000	1	116.6230	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)	114.0210	0.000	1	114.0210	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	114.7400	0.000	1	114.7400	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CH3)(H)	113.4220	0.000	1	113.4220	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	111.3817	2.145	3	111.3817	4.603	3	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	110.8710	0.000	1	111.0130	0.040	2	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){2|Cl<1>,1|C<3>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	111.1550	0.000	1	111.0130	0.040	2	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]CH)(H)	114.5690	1.393	9	114.5690	1.942	9	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	114.6270	1.160	2	114.6270	1.345	2	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[3]HH)(H)	111.2170	0.000	1	111.2170	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]CH)(H)	111.4720	0.000	1	111.4720	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]CH)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]CH)(H)	108.8310	0.000	1	108.8310	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HP)(H)	109.2258	1.726	4	109.2258	2.979	4	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	111.1837	1.914	7	111.1837	3.665	7	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)	109.8010	0.000	1	109.8010	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(H)	112.1500	0.000	1	112.1500	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]CH)(H)	114.9610	0.000	1	114.9610	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	113.6790	0.000	1	113.6790	0.000	1	111.9754	6.143	86	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PO3)(H)	112.9470	0.000	1	112.9470	0.000	1	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	112.5180	0.956	2	112.5180	0.914	2	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	113.5040	0.000	1	113.5040	0.000	1	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	113.5455	0.613	2	113.5455	0.376	2	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PCOS)(H)	112.6970	0.000	1	112.6970	0.000	1	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2B)(H)	111.7630	1.334	2	111.7630	1.778	2	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2N)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2N)(H)	109.0487	0.847	4	109.0487	0.717	4	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]CO)(H)	113.5100	0.000	1	113.5100	0.000	1	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]OO)(H)	111.7090	0.000	1	111.7090	0.000	1	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PNNO)(H)	112.2496	1.003	8	112.2496	1.007	8	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PO3)(H)	112.1060	0.812	2	112.1060	0.659	2	111.9370	2.484	25	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.1368	1.033	4	113.1368	1.067	4	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.6050	0.598	2	113.6050	0.358	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.4860	0.000	1	113.4860	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[5a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[5a]OO)(H)	111.1540	0.000	1	111.1540	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.5997	1.282	9	113.5997	1.643	9	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	112.7550	0.000	1	112.7550	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.5460	0.000	1	112.5620	0.001	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	112.5780	0.000	1	112.5620	0.001	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.3140	0.000	1	113.3140	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	109.2496	2.516	5	109.2496	6.333	5	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	111.7600	0.000	1	111.7600	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.5978	0.928	5	114.5978	0.861	5	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	113.9060	0.000	1	113.9060	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.7960	0.000	1	113.7960	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	114.9930	0.000	1	114.9930	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	113.5770	0.000	1	113.5770	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	114.0930	0.000	1	114.0930	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.4260	0.000	1	114.4260	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.5175	2.812	2	113.5175	7.908	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.1380	0.000	1	114.1380	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.2043	0.938	3	113.2043	0.879	3	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	113.3100	0.000	1	113.3100	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	115.2790	0.000	2	115.2790	0.000	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.9470	0.000	1	111.9470	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	114.5270	0.064	3	114.5270	0.004	3	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)(H)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)(H)	112.7550	0.000	1	112.7550	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(SC[6a]OO)(H)	111.9185	0.043	2	111.9185	0.002	2	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)	109.7680	0.000	1	109.7680	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SRhCO)(H)	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SRhCO)(H)	111.6580	0.000	1	111.6580	0.000	1	113.0710	3.489	56	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	113.5050	2.674	3	113.5050	7.148	3	113.5050	7.148	3	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(PC[6a]2Se)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]CH)(H)	112.1735	0.340	2	112.1735	0.116	2	112.1735	0.116	2	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	113.8733	0.575	3	113.8733	0.330	3	113.4755	0.853	4	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]CH)(H)	112.2820	0.000	1	112.2820	0.000	1	113.4755	0.853	4	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SC[6a]OO)(H)	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]CH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HP)(H)	117.3450	0.000	1	117.3450	0.000	1	115.7550	6.007	9	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]CH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HP)(H)	114.0990	5.868	2	114.0990	34.428	2	115.7550	6.007	9	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]CH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HP)(H)	114.7050	0.000	1	114.7050	0.000	1	115.7550	6.007	9	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(CC[6a]HP)(CCHH)(H)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CCHH)(H)	116.3817	0.978	4	116.3817	0.956	4	115.7550	6.007	9	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(CCHH)(H)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CCHH)(H)	116.0200	0.000	1	116.0200	0.000	1	115.7550	6.007	9	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-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)	N(CC[6a]P[6]H)(CC[6a]HH)(H)	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>}	N(CC[6a]P[6]H)(CC[6a]HH)(H)	116.2550	0.000	1	116.2550	0.000	1	116.2550	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-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)	N(CC[6a]P[6]H)(PO3)(H)	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>}	N(CC[6a]P[6]H)(PO3)(H)	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	N(CC[6a]SiH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	N(CC[6a]SiH)(SC[6a]OO)(H)	115.9850	0.000	1	115.9850	0.000	1	114.7517	1.211	3	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	N(CC[6a]SiH)(SCOO)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	N(CC[6a]SiH)(SCOO)(H)	114.1350	0.373	2	114.1350	0.139	2	114.7517	1.211	3	112.5918	5.573	197	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(OH)	112.9655	0.088	2	112.9655	0.008	2	112.8203	3.407	6	112.8203	3.407	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	N(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(OH)	112.7477	2.378	4	112.7477	5.655	4	112.8203	3.407	6	112.8203	3.407	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(SCO)	112.7580	0.000	1	112.7580	0.000	1	113.7075	1.803	2	112.1353	8.317	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-3:	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(SCO)	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CH3)(SCO)	114.6570	0.000	1	114.6570	0.000	1	113.7075	1.803	2	112.1353	8.317	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCC)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	112.1353	8.317	3	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCHH)2	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	114.9560	0.000	1	114.9560	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)	117.2095	0.586	4	117.2095	0.343	4	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	113.2740	0.000	1	113.2740	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)2	111.0900	0.000	1	111.0900	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(CH3)	108.9910	0.587	2	108.9910	0.344	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	108.4350	0.000	1	108.4350	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)	110.7350	0.000	1	113.0955	11.144	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|N<2>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)	115.4560	0.000	1	113.0955	11.144	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	114.5000	0.000	1	114.5000	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	114.1945	0.297	4	114.1945	0.088	4	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CH3)	113.3555	3.992	2	113.3555	15.933	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	115.3420	0.229	2	115.3420	0.052	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)(CH3)	113.7620	0.000	1	113.7620	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CCHH)2	109.4240	0.000	1	109.4240	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(CH3)2	112.4540	0.000	1	112.4540	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCCH)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(CH3)	109.2540	1.179	2	109.2540	1.391	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCHH)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCHH)2	109.8830	0.547	2	109.8830	0.300	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]CH)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]CH)(CCHH)	110.9640	0.000	1	110.9640	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]CH)(CH3)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]CH)(CH3)	109.2255	1.283	2	109.2255	1.647	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCCH)	111.6448	3.059	19	111.6448	9.358	19	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CCHH)	109.1870	0.000	1	109.1870	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[5]CH)	112.0560	3.849	4	112.0560	14.818	4	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CHHN)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CHHN)2	111.5452	2.317	5	111.5452	5.369	5	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CHHP)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CHHP)2	109.3260	0.322	5	109.3260	0.104	5	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)	109.6247	0.931	6	109.6247	0.867	6	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)3	109.6595	0.202	4	109.6595	0.041	4	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)2	106.2260	0.000	1	106.2260	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CH3)	109.0990	0.000	2	109.0990	0.000	2	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)2	115.4780	0.000	1	115.4780	0.000	1	111.5453	8.655	79	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	113.4650	0.000	1	113.4650	0.000	1	112.2942	1.701	6	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(PPdOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PPdOO)	111.3250	0.451	2	111.3250	0.204	2	112.2942	1.701	6	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	110.7980	0.000	1	110.7980	0.000	1	112.2942	1.701	6	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PRhOO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PRhOO)	113.4260	0.499	2	113.4260	0.249	2	112.2942	1.701	6	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	112.2390	0.000	1	112.2390	0.000	1	111.3503	1.190	3	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	110.1330	0.000	1	110.1330	0.000	1	111.3503	1.190	3	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:S-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(SC[6a]OO)	111.6790	0.000	1	111.6790	0.000	1	111.3503	1.190	3	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CCHH)	114.3440	0.000	1	114.3440	0.000	1	110.8245	24.774	2	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:C-4:	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(CH3)	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(CH3)	107.3050	0.000	1	107.3050	0.000	1	110.8245	24.774	2	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	111.4610	0.000	1	111.4610	0.000	1	112.2250	1.167	2	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)2	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)2	112.9890	0.000	1	112.9890	0.000	1	112.2250	1.167	2	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HH)(CC[6a]HP)(CCHH)	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]HP)(CCHH)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	111.6164	7.992	94	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:2:	3:3:4:	4:3:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SCO)(H)	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	110.3520	0.000	1	110.3520	0.000	1	111.2055	1.457	2	111.2055	1.457	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	112.0590	0.000	1	112.0590	0.000	1	111.2055	1.457	2	111.2055	1.457	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	3:4:4:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	4:1:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(H)2	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CH3)(H)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	111.5550	2.823	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(PO3)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(PO3)(H)	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	111.5550	2.823	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	4:4:4:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(CH3)2	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCN){1|H<1>,2|C<3>}	N(CC[6a]CC)(CH3)2	109.5740	0.000	1	109.5740	0.000	1	108.9475	0.785	2	108.9475	0.785	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:3:	3:3:4:	4:4:4:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]HH)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]HH)2	108.3210	0.000	1	108.3210	0.000	1	108.9475	0.785	2	108.9475	0.785	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:4:	3:3:4:	3:4:1:	C[6a]-3:C-4:N-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	2:3:4:	4:4:4:	C[6a]-3:C-4:C-4:N-3:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(CH3)2	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CH3)2	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CNO)(H)	C(C[6a]C[6a]2)(CH3)2(NCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CNO)(H)	110.9913	1.153	3	110.9913	1.329	3	110.9913	1.329	3	110.2519	3.189	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CC)(SCO)(H)	110.9690	0.000	1	109.6740	3.354	2	110.4440	3.456	3	110.2519	3.189	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SCO)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SCO)(H)	108.3790	0.000	1	109.6740	3.354	2	110.4440	3.456	3	110.2519	3.189	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SC[6]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SC[6]O)(H)	111.9840	0.000	1	111.9840	0.000	1	110.4440	3.456	3	110.2519	3.189	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]CN)	N(CC[6a]C[5]C)(SCO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]CN){1|C<3>,2|H<1>}	N(CC[6a]C[5]C)(SCO)(H)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	110.2519	3.189	7	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(PC[6a]2O)(H)	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	111.4340	1.388	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CH3)2(NHS)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)2(NHS)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(SC[6a]OO)(H)	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	111.4340	1.388	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C-4:P-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	N(CC[6a]CP)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	N(CC[6a]CP)(SC[6a]OO)(H)	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	111.4340	1.388	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:P-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	N(CC[6a]CP)(SCOO)(H)	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	N(CC[6a]CP)(SCOO)(H)	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	111.4340	1.388	4	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:1:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(H)2	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[4]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HN)	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HN){1|C<3>,2|H<1>}	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	115.2930	0.168	2	115.2930	0.028	2	115.2930	0.028	2	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(COO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(COO)(H)	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SCO)(H)	112.0010	0.918	2	112.0010	0.842	2	112.3992	13.537	4	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SCO)(H)	108.3740	0.000	1	108.3740	0.000	1	112.3992	13.537	4	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:3:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SCO)(H)	117.2210	0.000	1	117.2210	0.000	1	112.3992	13.537	4	113.1641	7.624	8	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PN3)(H)	111.8040	2.763	4	111.8040	7.637	4	111.8040	7.637	4	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	N(CC[6a]C[3]H)(CCCH)(H)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(CCCH)(H)	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	N(CC[6a]C[3]H)(SC[6a]OO)(H)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(SC[6a]OO)(H)	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	113.3600	0.000	1	113.3600	0.000	1	113.7662	1.443	4	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	115.4790	0.000	1	115.4790	0.000	1	113.7662	1.443	4	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)(H)	113.1130	0.614	2	113.1130	0.377	2	113.7662	1.443	4	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	N(CC[6,6]C[6a]H)(SNOO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(SNOO)(H)	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN)	N(CC[6a]C[6]H)(SC[6a]OO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SC[6a]OO)(H)	113.6310	0.024	2	113.6310	0.001	2	114.2073	0.997	3	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SC[6a]OO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C[6]H)(SC[6a]OO)(H)	115.3600	0.000	1	115.3600	0.000	1	114.2073	0.997	3	112.8416	3.803	14	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[3]HN)	N(CC[6a]C[3]H)(CC[6a]HH)2	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[3]HN){2|H<1>,3|C<3>}	N(CC[6a]C[3]H)(CC[6a]HH)2	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.4393	6.330	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN)	N(CC[6a]C[5]H)(CH3)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CH3)2	115.6367	0.656	3	115.6367	0.430	3	115.6322	0.287	4	114.4393	6.330	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CC[6a]HH)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]HH)2	115.6190	0.000	1	115.6190	0.000	1	115.6322	0.287	4	114.4393	6.330	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:1:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:S-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SC[6a]OO)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SC[6a]OO)2	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	114.4393	6.330	6	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6,6]CN)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CC[6,6]CN){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	4:3:3:3:	4:3:3:	4:4:1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6a]2C[5])(PN3)(H)	109.2485	0.309	2	109.2485	0.095	2	109.2485	0.095	2	109.2485	0.095	2	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	5:3:3:1:	4:3:2:	4:4:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:C-4:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912
490	643	956	0:SP3_SP2_SP3	C	C[6a]	N	6:3:3:1:	4:3:2:	4:4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N(CC[5x3,5x5,20x6]C[6a]H)(CC[6a]HH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(CC[6a]HH)(H)	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	112.3852	4.740	2912	112.3852	4.740	2912