490	643	658	0:SP3_SP2_SP3	C	C[6a]	Si[6]	4:3:1:1:	3:3:4:	3:3:4:1:	Si[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:N[6]-3:C-4:Br-1:	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSi[6]HH)	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSi[6]HH){1|C<3>,2|H<1>}	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1
490	643	679	0:SP3_SP2_SP3	C	C[6a]	B[5a]	4:3:4:1:	3:3:4:	2:2:4:3:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH){1|C<3>,2|F<1>}	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	117.0130	0.000	1	117.0130	0.000	1	115.8980	0.952	3	115.8980	0.952	3	115.8980	0.952	3	115.8980	0.952	3
490	643	679	0:SP3_SP2_SP3	C	C[6a]	B[5a]	4:3:4:1:	3:3:4:	2:2:4:3:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH){1|C<3>,2|H<1>}	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	115.3405	0.197	2	115.3405	0.039	2	115.8980	0.952	3	115.8980	0.952	3	115.8980	0.952	3	115.8980	0.952	3
490	643	722	0:SP3_SP2_SPD5	C	C[6a]	Si[4,4]	5:3:3:1:	4:3:3:	2:2:3:3:4:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	117.4480	2.148	2	117.4480	4.615	2	117.4480	4.615	2	117.4480	4.615	2	117.4480	4.615	2	117.4480	4.615	2
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	116.4795	0.290	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	116.4795	0.290	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	112.5765	0.465	2	112.5765	0.216	2	112.7987	0.944	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])2(CC[6a]HH){1|C<4>}	111.9210	0.000	1	113.0210	2.420	2	112.7987	0.944	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])2(CC[6a]HH){1|Ru<8>}	114.1210	0.000	1	113.0210	2.420	2	112.7987	0.944	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:O[5a]-2:C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	112.0480	0.000	1	112.0480	0.000	1	112.4490	0.322	2	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:O[5a]-2:C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH){1|S<1>}	112.8500	0.000	1	112.8500	0.000	1	112.4490	0.322	2	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	110.3070	0.000	1	110.3070	0.000	1	113.0763	5.548	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	114.9880	0.744	2	114.9880	0.553	2	113.0763	5.548	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>}	112.0220	0.000	1	112.0220	0.000	1	113.0763	5.548	4	112.8398	2.259	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]HH){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH){1|N<2>,3|C<3>}	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH){1|N<3>}	113.9600	0.000	1	113.9600	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|B<4>,1|C<4>}	115.0647	0.887	3	115.0647	0.787	3	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH){1|C<3>}	114.9510	0.000	1	114.9510	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	112.6860	0.000	1	112.6860	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	115.1600	0.000	1	115.1600	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.9410	0.885	2	113.3095	0.560	4	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	113.6780	0.594	2	113.3095	0.560	4	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	113.3400	0.000	1	113.3400	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH){1|C<3>}	113.9500	0.000	1	113.9500	0.000	1	114.0368	1.080	13	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	110.2863	0.633	3	110.2863	0.400	3	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	113.7270	0.000	1	113.7270	0.000	1	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	115.7925	1.006	2	115.7925	1.012	2	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	117.2370	0.000	1	117.2370	0.000	1	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	114.2940	0.000	1	114.0743	0.097	3	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	114.2120	0.000	1	114.0743	0.097	3	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){2|C<3>}	113.7170	0.000	1	114.0743	0.097	3	113.5631	6.497	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<2>,2|C<3>}	113.5840	0.000	1	114.6255	2.169	2	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>,2|C<3>}	115.6670	0.000	1	114.6255	2.169	2	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<2>}	112.5240	0.335	2	113.0147	0.778	3	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	113.9960	0.000	1	113.0147	0.778	3	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	113.0340	0.000	1	113.0340	0.000	1	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<2>}	112.6490	0.000	1	113.3420	0.960	2	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	114.0350	0.000	1	113.3420	0.960	2	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	113.9840	0.000	1	113.9840	0.000	1	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	116.0500	0.000	1	116.0500	0.000	1	113.8047	1.556	10	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	114.2670	0.000	1	114.2670	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	112.8300	0.000	1	112.8300	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	113.6020	0.000	1	113.6020	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	112.0180	0.000	1	112.0180	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	112.1492	0.901	4	112.1492	0.811	4	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	113.3750	0.000	1	113.3750	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<2>,2|C<3>}	114.6110	0.000	1	114.6110	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>}	112.9750	0.000	1	112.6912	1.368	9	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	111.8235	0.879	2	112.6912	1.368	9	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	112.9332	1.283	6	112.6912	1.368	9	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	113.1085	0.688	2	113.1085	0.473	2	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	114.8200	0.000	1	114.8200	0.000	1	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	115.1012	0.587	4	115.1356	0.264	5	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	115.2730	0.000	1	115.1356	0.264	5	113.3421	1.821	27	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	112.3130	1.567	2	112.3130	2.455	2	112.3130	2.455	2	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a,6]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|S<2>}	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	113.5821	2.232	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	114.2425	0.472	2	114.2425	0.222	2	114.2425	0.222	2	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	116.4810	0.000	1	116.4810	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	114.4325	1.214	2	114.4325	1.474	2	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	115.9430	0.000	1	115.9430	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.8778	1.936	5	113.8778	3.750	5	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,5|C<3>}	112.8890	0.000	1	112.8890	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	115.0705	0.134	2	115.0705	0.018	2	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]HH){1|H<1>,4|C<3>}	116.4850	0.000	1	116.4850	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	115.9100	0.000	1	115.9100	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	114.3770	1.030	5	114.3770	1.060	5	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	115.0700	0.000	1	113.9983	5.013	3	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	115.5000	0.000	1	113.9983	5.013	3	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|C<4>}	111.4250	0.000	1	113.9983	5.013	3	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.8670	0.000	1	113.8670	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.9430	0.000	1	114.9430	0.000	1	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.3430	0.000	1	113.2550	0.015	2	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	113.1670	0.000	1	113.2550	0.015	2	114.4347	2.093	26	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]HH){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	115.2680	0.000	1	115.2680	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	115.9320	0.987	2	115.9320	0.974	2	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH){1|S<4>,2|C<3>}	112.2320	0.000	1	112.2320	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	114.4570	0.000	1	114.4570	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	116.2040	0.000	1	116.2040	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	111.7560	0.000	1	111.7560	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH){1|C<3>}	112.5410	0.000	1	112.5410	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	116.3860	1.645	2	116.3860	2.705	2	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	117.0940	0.000	1	116.5010	0.311	3	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	115.9880	0.000	1	116.5010	0.311	3	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	116.4210	0.000	1	116.5010	0.311	3	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	115.2530	0.000	1	115.2530	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH){1|C<3>}	117.6420	0.000	1	117.6420	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	116.4050	0.000	1	113.9650	4.465	3	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<4>}	112.7450	0.000	2	113.9650	4.465	3	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]HH)	114.3710	0.000	1	114.3710	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	114.1815	0.617	2	114.1815	0.381	2	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.9090	0.000	1	113.9090	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.9690	0.000	1	106.9690	0.000	1	114.5652	5.697	23	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	115.1670	0.000	1	115.1670	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH){1|O<2>}	116.1230	0.000	1	116.1230	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	115.5360	0.000	1	115.5360	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	110.9840	0.000	1	110.9840	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	115.4820	0.000	1	115.4820	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	115.9170	0.000	1	115.9170	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	106.2970	0.000	1	106.2970	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	114.1310	0.000	1	114.1310	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	115.5290	0.000	1	115.5290	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	114.3780	1.694	4	114.3780	2.871	4	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	114.4100	0.000	1	114.4100	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	115.2630	0.000	1	114.9628	0.898	5	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	114.8877	1.077	4	114.9628	0.898	5	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH){4|C<3>}	115.7950	0.000	1	115.7950	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	113.0290	0.000	1	113.0290	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	111.8740	0.345	2	111.8740	0.119	2	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){1|C<3>,1|C<4>}	114.9770	0.000	1	114.9770	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	113.9085	1.129	2	113.9085	1.275	2	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH){1|Se<2>,1|H<1>,2|C<3>}	115.5350	0.000	1	115.5350	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5450	0.000	1	116.5450	0.000	1	114.2624	4.627	28	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,5a]-3:C[5a]-3:C-4:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH){1|N<2>,2|C<3>}	112.2100	0.666	2	112.2100	0.444	2	112.2100	0.444	2	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	113.8420	0.000	1	114.3193	1.827	3	114.3193	1.827	3	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	114.5580	1.820	2	114.3193	1.827	3	114.3193	1.827	3	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	112.5490	0.000	1	112.5490	0.000	1	113.8023	1.281	3	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	114.1090	0.000	1	114.1090	0.000	1	113.8023	1.281	3	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	114.7490	0.000	1	114.7490	0.000	1	113.8023	1.281	3	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){2|H<1>}	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|O<1>}	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	114.3793	3.685	90	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:2:4:	3:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:2:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){2|C<3>,2|H<1>}	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO){1|C<4>}	110.1200	0.000	1	110.1200	0.000	1	111.8440	5.944	2	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO){1|C<4>,2|C<3>}	113.5680	0.000	1	113.5680	0.000	1	111.8440	5.944	2	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	116.5180	0.891	2	116.5180	0.794	2	116.5180	0.794	2	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO){1|N<3>}	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS){1|C<3>,1|C<4>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	113.7610	5.302	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH){2|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH){1|H<1>}	112.7180	0.000	1	112.7180	0.000	1	113.2810	0.634	2	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]CH){2|C<3>}	113.8440	0.000	1	113.8440	0.000	1	113.2810	0.634	2	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){2|H<1>}	112.6375	0.691	2	112.6375	0.477	2	112.6375	0.477	2	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO){2|C<4>,3|C<3>}	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	112.4030	0.000	1	112.4030	0.000	1	112.5163	0.010	3	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){1|H<1>,3|C<3>}	112.5810	0.000	1	112.5810	0.000	1	112.5163	0.010	3	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	112.5650	0.000	1	112.5650	0.000	1	112.5163	0.010	3	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO){4|C<3>}	115.3400	0.000	1	115.3400	0.000	1	113.5737	4.089	3	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	112.6905	1.870	2	112.6905	3.498	2	113.5737	4.089	3	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS){1|C<3>}	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	112.7894	1.753	15	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:2:2:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CC[5a]CC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CC[5a]CC){1|C<3>,2|F<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC){1|C<3>,1|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:2:4:	3:2:4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	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)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:2:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	112.1205	1.959	10	111.9569	3.557	14	111.9569	3.557	14	111.9569	3.557	14	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:2:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	111.5480	1.894	4	111.9569	3.557	14	111.9569	3.557	14	111.9569	3.557	14	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	2:2:4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	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)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN)	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>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN){2|C<3>}	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	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)	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN)	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>}	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN){1|C<3>}	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	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)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	111.2490	0.000	1	111.2490	0.000	1	110.8270	3.002	4	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	112.7560	0.000	1	112.7560	0.000	1	110.8270	3.002	4	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	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)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	108.5690	0.000	1	108.5690	0.000	1	110.8270	3.002	4	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	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)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.8270	3.002	4	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	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)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	110.5487	3.011	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	112.0230	0.000	1	112.0230	0.000	1	113.1760	4.235	3	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	113.7525	2.545	2	113.7525	6.476	2	113.1760	4.235	3	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	110.6400	0.000	1	110.6400	0.000	1	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	111.3460	0.382	2	111.8522	0.450	6	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	112.3685	0.930	2	111.8522	0.450	6	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){2|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	111.8420	0.441	2	111.8522	0.450	6	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	112.4810	0.000	1	112.4810	0.000	1	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	111.4240	0.000	1	111.4240	0.000	1	111.7398	0.523	9	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H){1|N<2>,1|N<3>,2|C<3>}	112.4465	0.279	2	112.4465	0.078	2	112.4465	0.078	2	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	111.9390	0.445	2	111.9390	0.198	2	111.9390	0.198	2	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH){1|C<3>,2|C<4>}	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	111.5680	0.791	2	111.5680	0.625	2	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	111.4967	1.958	3	111.4967	3.834	3	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	112.9150	0.318	2	112.9150	0.101	2	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.4630	0.000	1	112.4630	0.000	1	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.6740	0.000	1	112.6740	0.000	1	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	117.5620	0.000	1	117.5620	0.000	1	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	115.0645	1.797	4	115.0645	3.230	4	113.3152	5.065	14	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	114.3330	0.000	1	114.3330	0.000	1	113.1585	2.759	2	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH){2|C<4>}	111.9840	0.000	1	111.9840	0.000	1	113.1585	2.759	2	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>}	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH){1|N<2>,3|C<3>}	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-3:C-4:	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)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN)	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>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN){1|C<3>,2|C<4>,2|H<1>}	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|C<4>,1|H<1>,2|C<3>}	114.5840	0.000	1	114.5840	0.000	1	113.0656	0.996	5	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	113.4420	0.000	1	113.4420	0.000	1	113.0656	0.996	5	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|H<1>,3|C<3>}	112.7300	0.000	1	112.7300	0.000	1	113.0656	0.996	5	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	112.2860	0.458	2	112.2860	0.210	2	113.0656	0.996	5	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3: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)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]HN){1|C<3>}	114.6080	0.000	1	114.6080	0.000	1	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	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>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>}	114.0930	0.000	1	114.0930	0.000	1	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN)	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>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN){1|C<4>}	111.2980	0.000	1	111.2980	0.000	1	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-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)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN)	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>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HN){3|C<3>}	114.7423	0.807	3	114.7423	0.652	3	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN){2|C<3>}	112.3540	0.000	1	112.3540	0.000	1	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	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>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	113.2650	0.000	1	113.2650	0.000	1	113.7306	1.901	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3: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)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	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>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	114.7180	0.000	1	114.7180	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	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)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN){1|C<3>,1|H<1>}	113.9810	0.000	1	113.9810	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3: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)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	114.5890	0.467	2	114.5890	0.218	2	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-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]2)(C[6a]C[6a]H)(CC[5a]HN)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	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>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	113.2740	0.000	1	113.2740	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-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)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	112.8600	0.000	1	112.8600	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	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)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	110.8110	0.000	1	110.8110	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN)	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>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN){2|H<1>}	109.8820	0.000	1	109.8820	0.000	1	113.0880	3.390	8	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN)	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>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN){1|H<1>,4|C<3>}	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	112.8648	2.980	58	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C-4:S[5a]-2:	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	111.4180	0.215	2	111.4180	0.046	2	111.4180	0.046	2	111.0465	0.503	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:N[5a]-2:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.6750	0.955	2	110.6750	0.911	2	110.6750	0.911	2	111.0465	0.503	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	112.1290	1.403	2	112.1290	1.968	2	112.1290	1.968	2	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	113.3580	0.395	2	113.3580	0.156	2	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.3290	0.000	1	111.3290	0.000	1	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	113.5790	0.000	1	113.5790	0.000	1	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]2H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	110.8660	1.583	2	110.8660	2.504	2	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	110.7555	2.720	2	110.7555	7.400	2	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	112.4835	1.339	2	112.4835	1.792	2	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	112.1580	0.491	2	112.1580	0.241	2	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	113.2000	0.642	2	112.8038	1.719	22	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	112.6580	0.605	2	112.8038	1.719	22	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	112.9387	1.521	3	112.8038	1.719	22	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	112.7434	1.470	15	112.8038	1.719	22	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.6240	1.383	2	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.7405	1.129	2	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	110.1230	0.000	1	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	113.5160	0.000	1	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	112.1845	2.483	2	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	112.2923	1.607	12	112.1122	2.360	20	112.3718	2.129	54	112.3631	2.090	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|Br<1>,1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a]){1|H<1>}	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	113.8440	3.089	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:O[5a]-2:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	113.8440	3.089	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	114.0523	1.248	3	114.0523	1.558	3	114.0523	1.558	3	113.8440	3.089	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	112.8965	1.216	2	112.8965	1.477	2	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2H){2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	111.4112	1.953	4	111.4112	3.815	4	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	113.6780	0.000	1	111.9495	5.975	2	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	110.2210	0.000	1	111.9495	5.975	2	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	108.9090	0.000	1	110.3210	3.987	2	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	111.7330	0.000	1	110.3210	3.987	2	111.5979	3.323	10	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.6037	0.557	3	110.6037	0.310	3	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5a]2H){2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	113.0500	1.835	8	113.0500	3.367	8	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	112.0386	2.894	10	111.8598	7.244	12	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	110.9660	1.554	2	111.8598	7.244	12	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	112.7017	1.862	7	112.2708	3.509	9	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	110.7625	1.191	2	112.2708	3.509	9	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|H<1>,1|N<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	110.7870	1.478	2	110.7870	2.184	2	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	111.4213	1.388	16	111.4213	1.926	16	111.8656	3.796	50	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	111.1934	3.277	8	111.1934	10.738	8	111.9175	8.426	16	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	112.0373	1.382	4	112.0373	1.909	4	111.9175	8.426	16	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<3>,1|C<4>}	115.2325	2.128	2	115.2325	4.527	2	111.9175	8.426	16	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	111.2595	3.724	2	111.2595	13.871	2	111.9175	8.426	16	111.8413	4.573	76	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:4:3:	3:2:4:	C[6a]-3:C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H){2|H<1>}	112.7690	2.397	2	112.7690	5.746	2	112.7690	5.746	2	112.7690	5.746	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:4:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	112.1230	0.540	2	112.1230	0.292	2	112.1230	0.292	2	112.7560	0.665	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	3:4:3:	3:3:4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	113.3890	0.315	2	113.3890	0.099	2	113.3890	0.099	2	112.7560	0.665	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:2:	3:3:4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:O[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	2:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	112.0740	0.000	1	112.0740	0.000	1	111.2947	3.080	4	111.2947	3.080	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	2:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	111.0350	2.053	3	111.0350	4.215	3	111.2947	3.080	4	111.2947	3.080	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	113.4095	0.598	2	113.4095	0.357	2	111.9906	1.941	18	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H){1|B<4>,1|H<1>}	112.3010	1.319	6	112.3010	1.739	6	111.9906	1.941	18	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	111.9442	0.416	4	111.9442	0.173	4	111.9906	1.941	18	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	111.2380	1.756	6	111.2380	3.084	6	111.9906	1.941	18	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|H<1>}	113.1745	1.358	8	113.1745	1.845	8	112.3236	2.602	16	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H){2|C<3>}	110.9925	1.621	2	110.9925	2.629	2	112.3236	2.602	16	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	110.8475	0.977	4	110.8475	0.955	4	112.3236	2.602	16	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){2|H<1>}	113.2030	1.013	2	113.2030	1.025	2	112.3236	2.602	16	112.1473	2.211	34	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	113.0330	0.508	4	113.0330	0.258	4	113.0330	0.258	4	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	112.4900	0.000	1	112.4900	0.000	1	112.8170	0.857	6	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	114.3680	0.000	1	113.6670	0.983	2	112.8170	0.857	6	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	112.9660	0.000	1	113.6670	0.983	2	112.8170	0.857	6	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	111.9905	0.555	2	111.9905	0.308	2	112.8170	0.857	6	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	113.0970	0.000	1	113.0970	0.000	1	112.8170	0.857	6	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|S<4>}	111.9295	0.482	2	111.9295	0.232	2	112.6833	0.957	4	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	113.4370	0.605	2	113.4370	0.366	2	112.6833	0.957	4	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	111.4725	2.026	2	111.4725	4.104	2	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H){1|H<1>}	112.6360	0.837	2	112.6360	0.701	2	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	112.0873	0.971	6	112.0873	0.943	6	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H){1|C<4>,4|C<3>}	110.6710	2.821	2	110.6710	7.960	2	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){1|N<3>,3|C<3>}	112.1070	4.355	4	112.5823	7.258	14	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	112.7724	2.006	10	112.5823	7.258	14	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	112.6780	2.162	4	112.6780	4.674	4	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	112.2215	0.418	2	112.2215	0.175	2	112.2934	4.352	32	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	110.5987	1.364	4	110.5987	1.861	4	110.5987	1.861	4	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H){1|H<1>,2|C<3>}	113.1345	2.484	2	113.1345	6.171	2	113.1345	6.171	2	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H){1|H<1>,5|C<3>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	116.1320	0.566	2	116.1320	0.320	2	115.9213	0.293	3	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	115.5000	0.000	1	115.5000	0.000	1	115.9213	0.293	3	112.4861	3.945	56	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	112.7113	1.280	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H){4|C<3>}	112.4130	2.295	2	112.4130	5.268	2	112.4130	5.268	2	112.7113	1.280	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H){1|C<3>,1|H<1>}	112.5540	0.132	2	112.5540	0.017	2	112.5540	0.017	2	112.7113	1.280	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	112.7113	1.280	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.9650	0.000	1	111.9650	0.000	1	111.9650	0.000	1	112.7113	1.280	7	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	111.1915	1.013	4	111.1915	1.026	4	111.1915	1.026	4	111.9744	2.782	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	110.7105	1.111	2	110.7105	1.234	2	110.7105	1.234	2	111.9744	2.782	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	111.9744	2.782	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	113.3700	0.414	2	113.3700	0.172	2	113.3700	0.172	2	111.9744	2.782	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.1815	0.756	2	112.1815	0.571	2	112.1815	0.571	2	112.1815	0.571	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	2:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	111.6330	1.554	2	111.6330	2.416	2	111.6330	2.416	2	111.6330	2.416	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	110.0663	2.116	6	110.0663	4.479	6	110.0663	4.479	6	110.0663	4.479	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	112.5030	0.000	1	112.5030	0.000	1	112.5030	0.000	1	113.9375	4.116	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO){4|C<3>}	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	113.9375	4.116	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	106.0305	0.073	2	106.0305	0.005	2	106.0305	0.005	2	109.1433	7.792	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	110.1080	1.534	2	110.1080	2.354	2	110.1080	2.354	2	109.1433	7.792	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:N[5a]-2:	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	111.2915	2.476	2	111.2915	6.129	2	111.2915	6.129	2	109.1433	7.792	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	113.6060	3.935	4	113.6060	15.484	4	113.6060	15.484	4	113.6060	15.484	4	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O){2|C<3>}	110.1380	2.974	2	110.1380	8.845	2	110.1380	8.845	2	111.4518	3.196	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O){2|H<1>}	112.1088	0.807	4	112.1088	0.652	4	112.1088	0.652	4	111.4518	3.196	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	111.7820	2.386	2	111.7820	5.692	2	111.7820	5.692	2	110.7521	3.269	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	110.7585	1.055	4	110.7585	1.112	4	110.4946	3.011	8	110.7521	3.269	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O){2|C<3>}	110.4500	3.907	2	110.4500	15.268	2	110.4946	3.011	8	110.7521	3.269	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	110.0115	1.313	2	110.0115	1.724	2	110.4946	3.011	8	110.7521	3.269	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]3){1|C<3>,1|H<1>}	109.2331	2.582	9	109.2331	6.669	9	109.2331	6.669	9	109.2331	6.669	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	112.9405	3.410	2	112.9405	11.631	2	112.9405	11.631	2	111.2636	4.199	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	109.9215	0.856	2	109.9215	0.733	2	109.9215	0.733	2	111.2636	4.199	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:N[5a]-3:N[5a]-2:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	110.0055	1.702	2	110.0055	2.897	2	110.0055	2.897	2	111.2636	4.199	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	112.1870	0.190	2	112.1870	0.036	2	112.1870	0.036	2	111.2636	4.199	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	108.6790	2.008	2	108.6790	4.033	2	108.6790	4.033	2	109.3115	2.273	24	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.2700	0.908	2	109.2700	0.824	2	109.3690	2.256	22	109.3115	2.273	24	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.3894	1.488	12	109.3790	2.449	20	109.3690	2.256	22	109.3115	2.273	24	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	109.3633	1.779	8	109.3790	2.449	20	109.3690	2.256	22	109.3115	2.273	24	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:2:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	110.8315	1.238	2	110.8315	1.533	2	110.8315	1.533	2	110.8315	1.533	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:O[5a]-2:C-4:	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)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	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>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.2463	1.447	9	109.2463	1.447	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	109.9505	1.965	2	109.9505	3.861	2	109.2463	1.447	9	109.2463	1.447	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	109.2475	1.484	2	109.2475	2.203	2	109.2463	1.447	9	109.2463	1.447	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	108.7597	1.046	4	108.7597	1.095	4	109.2463	1.447	9	109.2463	1.447	9	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	109.5602	1.379	4	109.5602	1.900	4	109.5602	1.900	4	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.0240	0.000	1	112.0240	0.000	1	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.7660	1.691	2	109.7660	2.861	2	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	111.0279	2.137	10	111.0279	4.565	10	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]F)2(CC[5a]2C){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	111.6846	1.850	8	111.6846	3.421	8	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	108.8920	0.700	2	108.8920	0.490	2	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|B<3>,1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	110.2707	1.558	4	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	111.4490	0.609	4	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,1|H<1>,1|O<2>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.9385	0.919	8	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	111.0560	0.615	8	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.5412	1.613	57	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|N<3>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.1833	1.353	38	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|N<3>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	109.7375	2.385	4	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|N<2>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	111.4897	1.056	6	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|N<2>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	109.8555	1.293	4	110.5110	2.118	133	110.5837	2.384	156	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	108.4240	0.594	2	108.4240	0.353	2	107.9131	0.811	8	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	107.6495	1.398	2	107.6495	1.954	2	107.9131	0.811	8	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]2C){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	107.7895	0.940	4	107.7895	0.883	4	107.9131	0.811	8	110.4322	2.624	168	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C){2|C<3>}	107.7785	2.255	2	107.7785	5.085	2	107.7785	5.085	2	107.7785	5.085	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	4:3:3:	4:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[6a](CC[5a]N[5a]C)(C[6a]C[6a]H)2	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[6a](CC[5a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](CC[5a]C[5]C)(C[6a]C[6a]F)2	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](CC[5a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:2:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>}	113.6305	0.675	2	113.6305	0.456	2	113.6305	0.456	2	113.6305	0.456	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	111.8210	0.000	1	111.8210	0.000	1	111.3747	0.274	3	110.8116	1.053	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	111.5050	0.000	1	111.5050	0.000	1	111.3747	0.274	3	110.8116	1.053	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|F<1>,1|H<1>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	110.7980	0.000	1	110.7980	0.000	1	111.3747	0.274	3	110.8116	1.053	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:O[5a]-2:C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.8116	1.053	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH){1|C<3>,1|N<2>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	110.8116	1.053	5	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]BH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]BH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH){1|C<3>,1|C<4>}	110.8150	0.000	1	110.8150	0.000	1	110.8150	0.000	1	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	112.5380	0.000	1	112.5380	0.000	1	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	115.2590	0.000	1	113.9565	3.393	2	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	112.6540	0.000	1	113.9565	3.393	2	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH){2|H<1>}	109.0340	0.000	1	109.0340	0.000	1	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	115.6080	0.000	1	115.6080	0.000	1	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	114.2695	2.037	2	114.2695	4.150	2	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	113.4040	0.000	1	113.4040	0.000	1	113.3795	4.907	8	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH){1|H<1>,1|O<1>}	110.1180	0.000	1	110.1180	0.000	1	112.7890	3.520	5	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH){1|C<3>}	112.3540	0.000	1	112.3540	0.000	1	112.7890	3.520	5	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CC[5a]CH){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	115.3550	0.000	1	115.3550	0.000	1	112.7890	3.520	5	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	113.0590	0.165	2	113.0590	0.027	2	112.7890	3.520	5	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH)	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|S<2>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP){2|C<3>}	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	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)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	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>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	117.4740	0.000	1	117.4740	0.000	1	116.8823	7.960	3	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	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)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS)	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>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS){2|C<3>}	119.3610	0.000	1	119.3610	0.000	1	116.8823	7.960	3	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	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)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS)	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>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS){1|C<3>}	113.8120	0.000	1	113.8120	0.000	1	116.8823	7.960	3	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	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)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS)	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>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS){1|C<3>,1|C<4>}	116.9840	0.000	1	116.9840	0.000	1	116.5565	0.366	2	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	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)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS)	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>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS){3|C<3>}	116.1290	0.000	1	116.1290	0.000	1	116.5565	0.366	2	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	112.6415	1.529	2	112.6415	2.339	2	112.6415	2.339	2	113.4063	6.812	25	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	114.2715	1.114	2	114.2715	1.240	2	114.2715	1.240	2	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){1|H<1>,1|S<4>,2|C<3>}	107.4670	0.000	1	107.4670	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.4680	0.909	2	112.4680	0.827	2	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	111.5430	0.000	1	111.5430	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	110.9350	0.000	1	110.9350	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|Si<4>,1|H<1>,2|C<3>}	111.4650	0.000	1	112.0220	0.620	2	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.5790	0.000	1	112.0220	0.620	2	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	110.0010	0.000	1	110.0010	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.8950	1.251	4	112.8950	1.566	4	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	110.3090	0.235	2	110.3090	0.055	2	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	110.3060	0.000	1	110.3060	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	111.0040	0.000	1	111.0040	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.2320	0.000	1	112.2320	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]CH){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	114.4010	0.000	1	114.4010	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	112.9180	0.000	1	112.9180	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	113.8790	0.000	1	113.8790	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	115.7965	0.928	4	115.7965	0.861	4	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH){2|C<3>,2|H<1>}	109.3090	0.000	1	109.3090	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|H<1>,1|I<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	113.8240	0.000	1	112.9910	0.885	4	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	113.2450	0.184	2	112.9910	0.885	4	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	111.6500	0.000	1	112.9910	0.885	4	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH){1|H<1>,3|C<3>}	112.5110	0.000	1	112.5110	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	108.6970	0.000	1	108.6970	0.000	1	112.3075	4.594	31	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]CH){1|C<3>}	112.0990	0.000	1	112.0990	0.000	1	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	112.6270	1.512	2	112.6270	2.286	2	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	112.6665	0.021	2	112.6665	0.000	2	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	111.4980	0.000	1	111.4980	0.000	1	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	114.2000	2.705	2	113.6827	4.462	3	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	112.6480	0.000	1	113.6827	4.462	3	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(CC[6a]CH)	113.6220	0.000	1	113.6220	0.000	1	112.8854	1.826	10	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	114.8580	0.000	1	114.8580	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH){2|H<1>}	112.9480	0.000	1	112.9480	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	114.8160	1.974	2	114.8160	3.898	2	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH){2|C<4>}	111.4150	0.000	1	111.4150	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	110.4200	0.000	1	110.4200	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	110.2510	0.000	1	110.2510	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	114.8340	0.000	1	114.8340	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){2|H<1>}	112.4960	1.575	2	112.4960	2.482	2	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	109.3710	0.000	1	109.3710	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	111.8190	0.000	1	111.8190	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	112.0010	0.000	1	112.0010	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH){2|H<1>}	111.0000	0.000	1	111.0000	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH){1|C<4>,1|H<1>,3|C<3>}	113.2740	0.000	1	113.2740	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	112.2170	0.000	1	112.2170	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	113.6160	0.000	1	113.6160	0.000	1	112.5087	3.347	17	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS)	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>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS){1|C<4>,1|H<1>,2|C<3>}	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	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)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS)	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>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS){3|C<3>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	111.4500	0.000	1	111.4500	0.000	1	112.1125	0.878	2	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	112.7750	0.000	1	112.7750	0.000	1	112.1125	0.878	2	112.6088	3.733	66	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN){1|H<1>,1|O<2>}	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	110.5733	2.815	3	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO){2|H<1>}	111.5025	0.671	2	111.5025	0.450	2	111.5025	0.450	2	110.5733	2.815	3	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	111.9323	1.557	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]CO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]CO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	111.9323	1.557	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6a]CO){1|H<1>}	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.9323	1.557	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	C[6a](C[6a]C[6a]H)2(CC[5a]CS)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	C[6a](C[6a]C[6a]H)2(CC[5a]CS){1|C<3>,2|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS){2|H<1>}	112.4605	0.016	2	112.4605	0.000	2	112.4605	0.000	2	111.9323	1.557	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO){2|C<3>}	113.9310	0.000	1	113.9310	0.000	1	113.9310	0.000	1	111.9323	1.557	6	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|C<4>,1|H<1>,2|C<3>}	110.9690	0.000	1	110.9690	0.000	1	110.4525	0.148	4	110.9796	1.033	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	110.2803	0.209	3	110.2803	0.044	3	110.4525	0.148	4	110.9796	1.033	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC){1|C<3>,1|H<1>}	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	110.9796	1.033	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){2|C<3>,2|H<1>}	109.6670	0.000	1	109.6670	0.000	1	111.2467	1.875	3	110.9796	1.033	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	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)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	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>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){1|C<4>,1|H<1>,2|C<3>}	112.0365	0.086	2	112.0365	0.007	2	111.2467	1.875	3	110.9796	1.033	8	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC){1|Pt<4>,1|C<3>}	111.4410	0.000	1	111.4410	0.000	1	111.4410	0.000	1	111.4410	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	109.5945	0.378	2	109.5945	0.143	2	110.2610	1.031	9	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	110.3997	1.171	6	110.3997	1.370	6	110.2610	1.031	9	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|H<1>,3|C<3>}	110.7620	0.000	1	110.7620	0.000	1	110.2610	1.031	9	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	109.4930	2.324	2	109.4930	5.399	2	109.4930	5.399	2	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	111.2280	2.374	2	111.2280	5.638	2	109.5890	5.634	4	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]CC){1|C<3>,1|H<1>}	107.9500	0.720	2	107.9500	0.518	2	109.5890	5.634	4	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5a]CC){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	109.9810	0.048	2	109.9810	0.002	2	109.9810	0.002	2	109.9796	2.022	17	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:1:	3:3:4:	3:2:4:	C[5a]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>}	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H){2|C<3>}	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[3]H)(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	114.8485	19.463	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:1:	4:3:3:	3:4:3:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	114.8485	19.463	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	111.1755	0.272	2	111.1755	0.074	2	111.1755	0.074	2	111.1755	0.074	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:3:	4:3:3:	3:4:3:	C[5a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	N[5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Co)(CC[6a]2C[6])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[6a]2C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>}	110.2380	0.952	2	110.2380	0.906	2	110.2380	0.906	2	110.2380	0.906	2	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	108.0160	2.362	4	109.0656	15.445	8	109.2818	17.176	10	109.2818	17.176	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.1153	5.246	4	109.0656	15.445	8	109.2818	17.176	10	109.2818	17.176	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.1465	6.679	2	110.1465	44.604	2	109.2818	17.176	10	109.2818	17.176	10	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	4:3:3:1:	4:3:3:	3:4:3:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:C[5a]-3:	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	727	0:SP3_SP2_SP2	C	C[6a]	C[5a]	4:3:3:1:	4:3:3:	4:3:2:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:O[5a]-2:	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	112.0193	5.326	951	112.0193	5.326	951
490	643	730	0:SP3_SP2_SP2	C	C[6a]	As	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:As-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)(AsC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	As(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(AsC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	As(C[6a]C[6a]2)(CC[6a]HH)2	111.0930	2.643	4	111.0930	6.985	4	111.0930	6.985	4	111.0930	6.985	4	111.0930	6.985	4	111.0930	6.985	4
490	643	730	0:SP3_SP2_SP3	C	C[6a]	As	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:Cl-1:	C(C[6a]C[6a]2)(AsClC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	As(CC[6a]HH)2(Cl)	C(C[6a]C[6a]2)(AsClC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	As(CC[6a]HH)2(Cl)	112.9010	4.641	2	112.9010	21.543	2	112.9010	21.543	2	112.8925	18.219	4	111.5354	39.884	8	111.5354	39.884	8
490	643	730	0:SP3_SP2_SP3	C	C[6a]	As	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:I-1:	C(C[6a]C[6a]2)(AsCI)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	As(CC[6a]HH)2(I)	C(C[6a]C[6a]2)(AsCI)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	As(CC[6a]HH)2(I)	112.8840	5.754	2	112.8840	33.114	2	112.8840	33.114	2	112.8925	18.219	4	111.5354	39.884	8	111.5354	39.884	8
490	643	730	0:SP3_SP2_SP3	C	C[6a]	As	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:As-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)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	As(CC[6a]HH)2(PC[6a]2C)	C(C[6a]C[6a]2)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	As(CC[6a]HH)2(PC[6a]2C)	110.5585	9.623	2	110.5585	92.602	2	110.1783	69.933	4	110.1783	69.933	4	111.5354	39.884	8	111.5354	39.884	8
490	643	730	0:SP3_SP2_SP3	C	C[6a]	As	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:As-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)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	As(CC[6a]HH)2(PC[6a]CC)	C(C[6a]C[6a]2)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	As(CC[6a]HH)2(PC[6a]CC)	109.7980	10.799	2	109.7980	116.617	2	110.1783	69.933	4	110.1783	69.933	4	111.5354	39.884	8	111.5354	39.884	8
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	110.1981	2.447	8	110.1981	5.986	8	110.1981	5.986	8	110.1981	5.986	8	110.1981	5.986	8	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.2890	0.837	4	113.2890	0.701	4	113.2890	0.701	4	113.0146	0.902	5	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	113.0146	0.902	5	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	O[6]-2:O[6]-2:C-4:	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](O[6]B[6,6])2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](O[6]B[6,6])2(CC[6a]HH){2|C<3>,3|O<2>}	111.2802	2.926	4	111.2802	8.562	4	111.2802	8.562	4	111.2802	8.562	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:2:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:O[6]-2:C-4:	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-3:C[6]-3:C-4:	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	113.1110	3.224	2	113.1110	10.397	2	113.1110	10.397	2	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.6470	0.325	2	114.6470	0.106	2	115.0557	0.554	3	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	115.8730	0.000	1	115.8730	0.000	1	115.0557	0.554	3	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	114.0120	0.000	1	114.0120	0.000	1	114.0120	0.000	1	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH){2|H<1>,3|C<3>}	112.2200	0.000	1	112.2200	0.000	1	110.6074	4.470	5	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH){2|H<1>,3|C<3>}	110.2043	2.208	4	110.2043	4.877	4	110.6074	4.470	5	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	114.5365	0.821	2	114.5365	0.674	2	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	114.1930	0.000	1	114.1930	0.000	1	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	113.7812	0.189	4	113.7812	0.036	4	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	113.7900	0.000	1	114.3495	0.626	2	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	114.9090	0.000	1	114.3495	0.626	2	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	113.5040	0.000	1	113.5040	0.000	1	114.0594	0.296	10	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CC[6]HH)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	109.1510	0.000	1	109.1510	0.000	1	114.2223	24.004	4	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	120.9070	0.000	1	120.9070	0.000	1	114.2223	24.004	4	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	113.4155	0.554	2	113.4155	0.307	2	114.2223	24.004	4	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	115.9650	0.000	1	115.9650	0.000	1	115.6097	5.519	3	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	113.1030	0.000	1	113.1030	0.000	1	115.6097	5.519	3	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	117.7610	0.000	1	117.7610	0.000	1	115.6097	5.519	3	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	117.4980	0.000	1	117.4980	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	115.6290	0.000	1	115.6290	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	114.8110	0.000	1	114.8110	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	107.2960	0.000	1	107.2960	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	109.8270	0.000	1	109.8270	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	114.3215	0.120	2	114.3215	0.014	2	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	113.8150	0.000	1	113.8150	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	115.0240	0.000	1	115.0240	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	112.5350	0.000	1	112.5350	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.4235	1.668	28	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	110.1550	0.000	1	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	110.8240	1.016	26	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	112.5805	0.491	2	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	112.3708	1.473	16	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	113.6244	0.771	5	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	114.9373	2.708	6	112.4795	3.824	84	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	112.6740	0.000	1	112.6740	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	113.5930	0.000	1	113.5930	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	113.7490	0.000	1	113.7490	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	114.2059	1.833	13	114.2809	3.180	14	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	115.2560	0.000	1	114.2809	3.180	14	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	114.7340	0.000	1	114.5490	0.068	2	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	114.3640	0.000	1	114.5490	0.068	2	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	117.9640	0.000	1	117.9640	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	116.1050	0.000	1	116.1050	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	115.9370	1.517	27	115.9168	2.271	29	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	115.6445	1.896	2	115.9168	2.271	29	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]O[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]HH){1|C<4>}	115.8460	0.000	1	115.8460	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	116.2640	0.000	1	116.2640	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	113.1090	0.000	1	113.1090	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	115.9150	0.000	1	115.9150	0.000	1	113.5756	5.542	148	113.5695	5.746	177	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:N[6]-2:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|N<3>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.8437	2.587	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6]){1|S<1>,2|C<3>}	114.1780	0.000	1	114.1780	0.000	1	113.5400	0.814	2	114.8437	2.587	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	112.9020	0.000	1	112.9020	0.000	1	113.5400	0.814	2	114.8437	2.587	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C[6]-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	114.7140	0.000	1	115.8900	2.577	3	115.8900	2.577	3	114.8437	2.587	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C[6]-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	116.4780	1.755	2	115.8900	2.577	3	115.8900	2.577	3	114.8437	2.587	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	114.9507	1.954	4	114.9507	3.820	4	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	112.7100	0.000	1	112.7100	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	111.5800	2.634	4	111.5800	6.940	4	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	115.2830	0.000	1	115.2830	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	116.6885	3.055	4	116.6885	9.332	4	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	112.5320	2.403	2	112.5320	5.773	2	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	112.0000	0.000	1	112.0000	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	114.5850	0.000	1	114.5850	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	118.4570	0.000	1	118.4570	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.1730	0.000	1	111.1730	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	114.1500	0.000	1	114.1500	0.000	1	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	115.6770	1.568	3	115.6770	2.458	3	114.3054	7.520	24	114.2272	7.360	25	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:1:1:	3:3:4:	6:3:4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6]HO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6]HO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|H<1>,2|C<3>}	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	110.1020	0.000	1	110.1020	0.000	1	111.9689	1.987	7	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3380	0.000	1	112.2800	1.571	6	111.9689	1.987	7	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	112.8055	0.992	4	112.2800	1.571	6	111.9689	1.987	7	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	112.1200	0.000	1	112.2800	1.571	6	111.9689	1.987	7	111.5398	6.951	10	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:4:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO){1|S<4>,4|C<3>}	111.4460	0.000	1	111.4460	0.000	1	110.7605	0.940	2	110.7605	0.940	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	3:4:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	110.0750	0.000	1	110.0750	0.000	1	110.7605	0.940	2	110.7605	0.940	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C[6](C[6]C[6]O)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]CC){1|C<3>,2|N<3>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	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>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	110.7990	0.000	1	110.7990	0.000	1	111.6883	1.205	9	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN){1|H<1>,2|C<3>}	110.4300	0.000	1	110.4300	0.000	1	111.6883	1.205	9	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	113.5230	0.000	1	113.5230	0.000	1	111.6883	1.205	9	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	111.5735	0.149	2	111.5735	0.022	2	111.6883	1.205	9	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	111.8240	1.122	4	111.8240	1.258	4	111.6883	1.205	9	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|Br<1>,1|C<3>,1|H<1>}	113.0450	0.000	2	111.9916	4.065	5	111.9916	4.065	5	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	111.2893	2.506	3	111.9916	4.065	5	111.9916	4.065	5	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6]HS)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6]HS){2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS){1|C<3>,2|H<1>}	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	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)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	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>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	111.9565	1.350	2	111.9565	1.822	2	113.7236	13.441	7	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN)	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	111.4190	0.000	1	115.4285	32.152	2	113.7236	13.441	7	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN)	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	119.4380	0.000	1	115.4285	32.152	2	113.7236	13.441	7	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	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)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	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>}	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	108.9970	0.000	1	108.9970	0.000	1	113.7236	13.441	7	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	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)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	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>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	116.1490	0.711	2	116.1490	0.506	2	113.7236	13.441	7	112.3951	5.955	22	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	112.8320	0.000	1	112.8320	0.000	1	113.5115	0.923	2	113.5115	0.923	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	114.1910	0.000	1	114.1910	0.000	1	113.5115	0.923	2	113.5115	0.923	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:S[6]-4:	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	112.5805	1.971	2	112.5805	3.884	2	112.6418	1.307	4	112.6418	1.307	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	3:4:4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:S[6]-4:	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	112.7030	0.153	2	112.7030	0.023	2	112.6418	1.307	4	112.6418	1.307	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]2F)	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]2F){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	113.9790	2.039	2	113.9790	4.159	2	113.9790	4.159	2	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	112.4835	0.499	2	112.4835	0.249	2	112.4835	0.249	2	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H){1|C<3>,2|H<1>}	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	113.6635	1.194	2	113.6635	1.426	2	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|Br<1>,1|C<3>,1|O<2>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	114.8770	0.536	2	114.4112	1.324	32	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,1|H<1>,1|N<3>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	113.7005	0.968	2	114.4112	1.324	32	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,1|H<1>,1|O<2>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	115.0810	0.926	2	114.4112	1.324	32	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	114.4115	1.225	24	114.4112	1.324	32	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|O<2>}	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	113.9830	1.308	2	114.4112	1.324	32	114.3673	1.319	34	114.2296	1.454	39	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-4:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H){1|C<3>,2|C<4>}	113.2095	1.042	2	113.2095	1.085	2	113.2095	1.085	2	113.2095	1.085	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	109.5775	0.617	2	109.5775	0.381	2	111.4797	6.402	4	113.1683	7.939	7	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	111.9070	0.000	1	111.9070	0.000	1	111.4797	6.402	4	113.1683	7.939	7	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H){1|H<1>,2|C<3>}	114.8570	0.000	1	114.8570	0.000	1	111.4797	6.402	4	113.1683	7.939	7	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	114.6340	0.000	1	114.6340	0.000	1	115.4197	0.909	3	113.1683	7.939	7	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	115.8125	0.944	2	115.8125	0.891	2	115.4197	0.909	3	113.1683	7.939	7	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	110.1950	0.000	1	110.1950	0.000	1	109.4710	1.048	2	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H){1|H<1>,2|C<3>}	108.7470	0.000	1	108.7470	0.000	1	109.4710	1.048	2	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	114.4410	0.000	1	114.4905	0.005	2	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	114.5400	0.000	1	114.4905	0.005	2	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	112.7730	0.000	1	112.4495	0.209	2	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	112.1260	0.000	1	112.4495	0.209	2	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6a]2H){1|N<3>,2|H<1>}	110.9200	1.256	4	111.1645	1.240	6	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.6535	0.865	2	111.1645	1.240	6	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	113.6910	0.000	1	113.6910	0.000	1	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]O)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	115.0380	0.000	1	115.0380	0.000	1	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	C[6](C[6]C[6]O)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	113.6990	0.000	1	113.6990	0.000	1	112.5612	2.858	13	112.1491	3.707	15	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H){1|S<4>,4|C<3>}	112.9705	1.661	2	112.9705	2.759	2	112.9705	2.759	2	112.9705	2.759	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6]-3:C[6]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	113.4630	0.000	1	113.4630	0.000	1	112.5270	7.452	4	112.5270	7.452	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	108.4570	0.000	1	108.4570	0.000	1	112.5270	7.452	4	112.5270	7.452	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	114.1310	0.000	1	114.1310	0.000	1	112.5270	7.452	4	112.5270	7.452	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	114.0570	0.000	1	114.0570	0.000	1	112.5270	7.452	4	112.5270	7.452	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	112.2800	0.048	2	112.2800	0.002	2	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	111.9501	1.960	8	112.3413	3.467	12	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	112.1980	0.774	2	112.3413	3.467	12	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	114.0490	1.881	2	112.3413	3.467	12	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	110.2205	0.532	4	110.2205	0.283	4	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	114.4915	2.446	6	114.4915	5.982	6	112.5202	4.951	24	112.5202	4.951	24	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	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)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	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>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.1905	0.823	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3: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)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO)	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>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO){1|C<3>,2|H<1>}	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	109.1905	0.823	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,1|H<1>,1|O<2>}	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	107.9405	0.489	2	107.9405	0.239	2	107.9405	0.239	2	109.7760	5.545	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>}	112.8200	0.000	1	111.6115	2.921	2	111.6115	2.921	2	109.7760	5.545	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	110.4030	0.000	1	111.6115	2.921	2	111.6115	2.921	2	109.7760	5.545	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:2:	3:3:4:	C[6a]-3:C[6]-3:C[6a]-3:O-2:	C-4:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O){1|C<3>,2|H<1>}	108.8600	2.309	3	108.8600	5.330	3	108.8600	5.330	3	108.8600	5.330	3	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	110.4805	1.153	4	110.4805	1.329	4	110.4805	1.329	4	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O){1|C<3>,2|H<1>}	110.9100	1.075	3	110.9100	1.155	3	110.9100	1.155	3	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2C){1|N<3>,2|H<1>}	109.6415	0.443	2	109.6415	0.197	2	109.6415	0.197	2	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O){3|C<3>}	110.6775	1.810	4	110.6775	3.276	4	110.4071	4.583	45	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	111.2730	1.615	2	111.2730	2.608	2	110.4071	4.583	45	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	110.3349	2.220	39	110.3349	4.927	39	110.4071	4.583	45	110.4121	3.964	54	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	110.7605	0.385	2	110.7605	0.149	2	110.7605	0.149	2	110.0567	2.425	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C-4:C[6]-2:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	109.3530	2.268	2	109.3530	5.146	2	109.3530	5.146	2	110.0567	2.425	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-3:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	114.7932	2.179	6	114.7932	4.747	6	114.7932	4.747	6	114.7932	4.747	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]O)	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]O){1|C<3>,2|H<1>}	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReC)	C[6a](C[6a]C[6a]H)2(CC[6]2N)	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReC)	C[6a](C[6a]C[6a]H)2(CC[6]2N){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	113.5290	4.994	2	113.5290	24.936	2	113.5290	24.936	2	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OCu2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O){2|H<1>,3|C<3>}	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	109.4843	1.885	6	109.4843	3.552	6	109.9779	5.092	26	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OFe2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OFe2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O){2|H<1>,3|C<3>}	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	109.6090	0.945	12	109.6090	0.893	12	109.9779	5.092	26	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OMoH)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OMoH)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	116.0070	0.939	2	116.0070	0.882	2	109.9779	5.092	26	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OZn2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O)	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OZn2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]2O){2|H<1>,3|C<3>}	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	109.1997	1.971	6	109.1997	3.884	6	109.9779	5.092	26	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6]N[5]2)	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6]N[5]2){1|C<3>,2|H<1>}	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	110.4162	6.935	30	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	4:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:N-3:	C-4:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N){1|C<3>,2|H<1>}	108.7230	2.920	4	108.7230	8.528	4	108.7230	8.528	4	108.7230	8.528	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]3)	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|C<4>}	108.8427	5.464	6	108.8427	29.854	6	108.8427	29.854	6	108.8427	29.854	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2	C[6](CC[6a]2C[6])(C[6]C[6]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	C[6](CC[6a]2C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	110.1144	3.917	12	110.1144	15.346	12	110.1144	15.346	12	110.1144	15.346	12	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3)	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3){1|C<3>,1|C<4>,1|C<5>}	108.5360	2.260	3	108.5360	5.107	3	108.5360	5.107	3	108.5360	5.107	3	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	110.7270	1.766	4	110.7270	3.118	4	110.5477	1.491	18	110.5477	1.491	18	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	109.8938	1.027	6	110.5727	1.393	12	110.5477	1.491	18	110.5477	1.491	18	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	111.2515	0.951	6	110.5727	1.393	12	110.5477	1.491	18	110.5477	1.491	18	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:2:4:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	110.0390	0.140	2	110.0390	0.020	2	110.5477	1.491	18	110.5477	1.491	18	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:O-3:C-4:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO){1|Br<1>,1|C<3>,1|H<1>}	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]2C)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	109.1600	0.147	2	109.1600	0.022	2	109.1600	0.022	2	112.5238	15.489	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReCH)	C[6a](C[6a]C[6a]H)2(CC[6]2N)	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReCH)	C[6a](C[6a]C[6a]H)2(CC[6]2N){1|C<3>,2|H<1>}	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	115.8875	1.090	2	115.8875	1.187	2	115.8875	1.187	2	112.5238	15.489	4	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.3245	1.740	12	110.3245	3.029	12	110.3245	3.029	12	110.4924	2.924	14	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	C-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(CC[6a]2N)	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	111.4995	1.524	2	111.4995	2.322	2	111.4995	2.322	2	110.4924	2.924	14	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	108.5150	0.000	1	108.5150	0.000	1	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	111.4952	3.068	4	111.4952	9.414	4	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	113.0570	0.000	1	113.0570	0.000	1	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]C)2(CC[6]HN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]C)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	114.5140	0.000	1	114.5140	0.000	1	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	113.6080	0.000	1	113.6080	0.000	1	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	112.2900	1.365	3	112.2900	1.863	3	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<2>,2|H<1>}	112.4270	0.000	1	112.3845	0.004	2	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	112.3420	0.000	1	112.3845	0.004	2	112.1011	4.631	13	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]O)2(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	115.9830	0.048	2	115.9830	0.002	2	115.9830	0.002	2	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	111.4020	0.000	1	111.4020	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	108.6960	0.000	1	108.6960	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	110.2075	0.600	4	110.9179	1.383	10	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	111.1575	1.924	2	110.9179	1.383	10	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	111.5085	1.174	4	110.9179	1.383	10	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	110.4810	0.000	1	110.4810	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	111.1820	0.052	2	111.1820	0.003	2	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	111.5160	0.000	1	111.5160	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	110.6220	1.428	2	110.6220	2.040	2	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]O[6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]CH){1|C<4>}	116.9960	0.000	1	116.9960	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	111.7168	1.188	5	112.4910	3.691	7	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	112.6930	0.000	1	112.4910	3.691	7	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	116.1600	0.000	1	112.4910	3.691	7	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	111.9330	0.000	1	111.9330	0.000	1	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	113.1560	1.351	2	113.1560	1.824	2	111.6400	3.382	29	111.9736	4.322	44	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:N[6]-2:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	113.1360	0.000	1	113.1360	0.000	1	113.1360	0.000	1	111.3710	6.230	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	111.3710	6.230	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:2:2:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-2:C[6]-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](CC[6a]CH)(C[6]C[6])2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	111.1870	0.000	1	111.1870	0.000	1	113.1975	8.084	2	113.1975	8.084	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:3:4:	4:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	115.2080	0.000	1	115.2080	0.000	1	113.1975	8.084	2	113.1975	8.084	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:1:	3:4:2:	4:3:3:	C[6a]-3:C[6]-3:N[6]-4:H-1:	C[6a]-3:C-4:N[6a]-2:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a])	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.4202	3.008	5	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	110.7575	1.411	2	110.7575	1.990	2	110.7575	1.990	2	109.4202	3.008	5	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C[6](C[6]C[6]H)2(CC[6a]CO)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]CO){1|N<3>,2|H<1>}	107.9320	1.394	2	107.9320	1.944	2	107.9320	1.944	2	109.4202	3.008	5	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	106.4605	0.062	2	106.4605	0.004	2	106.4605	0.004	2	106.4605	0.004	2	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	109.9872	0.848	5	109.4303	2.435	6	109.4303	2.435	6	109.4303	2.435	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|H<1>}	106.6460	0.000	1	109.4303	2.435	6	109.4303	2.435	6	109.4303	2.435	6	112.3104	7.653	585	112.2819	7.680	593
490	643	762	0:SP3_SP2_SP2	C	C[6a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[6a]-3:Si-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6]-3:C[6]-3:	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH)	C[6](CC[6a]SiH)(C[6]C[6]H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH){1|C<3>,2|H<1>}	C[6](CC[6a]SiH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	112.0325	0.784	2	112.0325	0.615	2	112.0325	0.615	2	112.0325	0.615	2	112.3104	7.653	585	112.2819	7.680	593
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH)	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH){2|C<4>,3|C<3>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	113.4350	15.190	2	113.4350	230.738	2	113.4350	230.738	2	113.4350	230.738	2	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:B-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)(BC[6a]N)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH)	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	C(C[6a]C[6a]2)(BC[6a]N)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH){2|C<4>,3|C<3>}	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH)	B(C[6a]C[6a]2)2(CC[6a]2H)	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]2H)	116.0175	0.235	2	116.0175	0.055	2	116.0175	0.055	2	116.0175	0.055	2	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	B(C[6a]C[6a]2)2(CC[6a]SiH)	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]SiH)	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH)	B(C[6a]C[6a]2)(CC[6a]SiH)2	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)(CC[6a]SiH)2	110.6805	9.688	2	110.6805	93.859	2	114.2925	26.748	6	114.2925	26.748	6	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	B(C[6a]C[6a]2)(CC[6a]SiH)2	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC[6a]SiH)2	116.0493	0.596	3	116.0493	0.355	3	114.2925	26.748	6	114.2925	26.748	6	114.9607	37.022	12	114.9607	37.022	12
490	643	770	0:SP3_SP2_SP2	C	C[6a]	B	3:3:4:1:	3:3:4:	3:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH)	B(C[6a]C[6a]2)(CC[6a]SiH)2	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]SiH)2	116.2460	0.000	1	116.2460	0.000	1	114.2925	26.748	6	114.2925	26.748	6	114.9607	37.022	12	114.9607	37.022	12
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:1:1:	3:3:4:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[3x3,4,3x5,14x6]HH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[3x3,4,3x5,14x6]HH){2|H<1>,5|C<3>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH){1|B<6>,1|C<3>,5|H<1>}	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	113.4259	3.819	17	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:1:1:	4:3:3:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,4,3x5,14x6]HH)(C[6a]C[6a]H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,4,3x5,14x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH){1|B<6>,1|C<3>,5|H<1>}	114.2263	0.768	10	114.2263	0.590	10	114.2263	0.590	10	114.2263	0.590	10	113.4259	3.819	17	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:2:1:	4:3:2:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HO){1|B<6>,1|C<4>,5|H<1>}	110.6852	0.566	4	110.6852	0.320	4	110.6852	0.320	4	110.6852	0.320	4	113.4259	3.819	17	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:2:1:	4:3:3:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HO){1|B<6>,1|C<3>,5|H<1>}	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	113.4259	3.819	17	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:1:	4:3:2:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:N[6a]-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6: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])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HN)	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>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HN){1|B<6>,1|C<3>,5|H<1>}	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	113.4259	3.819	17	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[3x3,5,5,8x6]	5:3:1:1:	4:3:3:	6:6:5:5:4:	C[3x3,5,5,8x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	B[5x3,5,5,5x6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,8x6]-5:B[3x3,5,6x6]-5:C-4:	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,5,5,8x6]HH)(C[6a]C[6a]H)2	C[3x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(CC[6a]HH)	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,5,5,8x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(CC[6a]HH){1|B<4>,1|B<6>,1|C<4>,4|H<1>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	113.8507	5.313	19
490	643	778	0:SP3_SP2_SPD5	C	C[6a]	C[4x3,4x5,4x6]	5:3:1:1:	4:3:3:	6:6:6:6:4:	C[4x3,4x5,4x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[6a](CC[4x3,4x5,4x6]HH)(C[6a]C[6a]H)2	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Cl)4(CC[6a]HH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[6a](CC[4x3,4x5,4x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Cl)4(CC[6a]HH){4|Cl<1>,1|B<5>}	119.1020	0.000	1	119.1020	0.000	1	119.1020	0.000	1	119.1020	0.000	1	119.1020	0.000	1	113.8507	5.313	19
490	643	786	0:SP3_SP2_SP3	C	C[6a]	B[5]	4:3:1:1:	3:3:4:	4:4:3:4:	B[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[5]-4:C[6a]-3:C-4:	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH){1|C<3>,2|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|C<3>,1|H<1>,1|N<2>}	Cl(CC[6a]Cl2)	110.4280	2.299	3	110.5922	3.042	27	110.5922	3.042	27	110.5422	3.394	38	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]C[6a]N[6a])(Cl)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	Cl(CC[6a]Cl2)	110.6128	1.725	24	110.5922	3.042	27	110.5922	3.042	27	110.5422	3.394	38	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(Cl)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]N[6a]2)(Cl)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	Cl(CC[6a]Cl2)	109.8902	1.722	9	109.8902	2.967	9	109.8902	2.967	9	110.5422	3.394	38	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH){1|Cl<1>,1|C<3>,1|N<3>}	Cl(CC[6a]HH)	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	110.5422	3.394	38	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(Cl)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]O[6a])(Cl)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|O<1>}	Cl(CC[6a]HH)	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	110.5422	3.394	38	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	109.7580	0.368	2	110.1007	0.420	3	110.1740	0.516	5	110.1740	0.516	5	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|H<1>,2|C<3>}	Cl(CC[6a]HH)	110.7860	0.000	1	110.1007	0.420	3	110.1740	0.516	5	110.1740	0.516	5	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH){1|C<3>,1|H<1>}	Cl(CC[6a]HH)	110.2840	1.088	2	110.2840	1.183	2	110.1740	0.516	5	110.1740	0.516	5	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3){1|Cl<1>,1|C<3>}	Cl(CC[6a]Cl2)	111.5110	1.051	2	111.5110	1.104	2	111.5110	1.104	2	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(Cl)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]N[5a,6a]C[6a])(Cl)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	Cl(CC[6a]Cl2)	110.7246	1.615	9	110.6937	2.011	15	110.6937	2.011	15	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(Cl)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	Cl(CC[6a]Cl2)	C(C[6a]N[5a,6a]C[6a])(Cl)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	Cl(CC[6a]Cl2)	110.6475	1.204	6	110.6937	2.011	15	110.6937	2.011	15	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:F-1:F-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(Cl)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CClFF)	Cl(CC[6a]FF)	C(C[6a]C[6a,6a]2)(Cl)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CClFF){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	Cl(CC[6a]FF)	112.7740	0.000	1	112.7740	0.000	1	112.7740	0.000	1	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|Br<1>,1|H<1>,3|C<3>}	Cl(CC[6a]HH)	110.5260	0.000	1	110.5260	0.000	1	111.0353	0.830	8	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CClHH){1|O<1>,1|O<2>,3|C<3>}	Cl(CC[6a]HH)	109.8980	0.000	1	109.8980	0.000	1	111.0353	0.830	8	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|Br<1>,1|H<1>,3|C<3>}	Cl(CC[6a]HH)	111.7310	0.407	2	111.3097	0.761	6	111.0353	0.830	8	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|N<2>,2|C<3>,2|H<1>}	Cl(CC[6a]HH)	110.4230	0.160	2	111.3097	0.761	6	111.0353	0.830	8	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){2|H<1>,3|C<3>}	Cl(CC[6a]HH)	111.7750	1.119	2	111.3097	0.761	6	111.0353	0.830	8	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	113.0072	1.789	5	113.0072	3.201	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClHH){1|O<2>,2|C<3>}	Cl(CC[6a]HH)	111.9680	0.000	1	111.9680	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	112.4990	0.000	1	112.4990	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH){2|C<3>}	Cl(CC[6a]HH)	110.2740	0.765	2	110.2740	0.585	2	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClHH){2|H<1>,3|C<3>}	Cl(CC[6a]HH)	112.0790	0.000	1	112.0790	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|N<3>}	Cl(CC[6a]HH)	112.3540	0.000	1	112.3540	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	111.1380	0.000	1	111.1380	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH){1|C<3>,2|C<4>}	Cl(CC[6a]HH)	110.7957	0.845	3	111.2104	0.801	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH){1|C<3>,2|H<1>}	Cl(CC[6a]HH)	111.8325	0.697	2	111.2104	0.801	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]F)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]F)2(CClHH){1|C<3>,2|C<4>}	Cl(CC[6a]HH)	111.2650	0.359	3	111.2650	0.129	3	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH){1|C<3>,2|H<1>}	Cl(CC[6a]HH)	113.1060	3.729	2	113.1060	13.908	2	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	112.3820	0.000	1	111.4814	0.267	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|H<1>,1|O<2>}	Cl(CC[6a]HH)	111.3530	0.020	2	111.4814	0.267	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|H<1>,2|C<3>}	Cl(CC[6a]HH)	111.1595	0.124	2	111.4814	0.267	5	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CClHH){1|C<3>,2|C<4>}	Cl(CC[6a]HH)	110.8700	0.561	4	110.8700	0.314	4	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH){1|C<3>,1|H<1>}	Cl(CC[6a]HH)	111.1140	0.000	1	111.1140	0.000	1	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]HH)	109.9495	0.045	2	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	Cl(CC[6a]HH)	110.5360	0.351	3	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|C<4>}	Cl(CC[6a]HH)	111.2451	1.251	8	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|H<1>}	Cl(CC[6a]HH)	111.6874	1.611	10	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|N<3>}	Cl(CC[6a]HH)	109.6190	0.000	1	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|H<1>,2|C<3>}	Cl(CC[6a]HH)	113.0040	0.000	1	111.2386	1.963	25	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH)	Cl(CC[6a]HH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH){1|C<3>,2|H<1>}	Cl(CC[6a]HH)	111.3912	0.840	4	111.3912	0.705	4	111.4789	1.800	61	111.3183	1.783	87	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O)	Cl(CC[6a]ClO)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O){1|C<3>,2|H<1>}	Cl(CC[6a]ClO)	110.1232	1.140	6	110.1232	1.300	6	110.1232	1.300	6	110.1232	1.300	6	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	112.7155	0.750	4	112.7155	0.563	4	111.2485	2.106	10	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.9080	0.000	1	108.9080	0.000	1	111.2485	2.106	10	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	110.5430	0.416	5	110.5430	0.173	5	111.2485	2.106	10	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2)	Cl(CC[6a]2Cl)	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2){1|C<3>,1|F<1>,1|H<1>}	Cl(CC[6a]2Cl)	108.5670	4.712	2	108.5670	22.204	2	109.1966	6.882	14	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2)	Cl(CC[6a]2Cl)	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2){1|Cl<1>,1|C<3>,1|H<1>}	Cl(CC[6a]2Cl)	109.4618	1.872	6	109.4618	3.504	6	109.1966	6.882	14	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)2(CC[6a]Cl2)	Cl(CC[6a]2Cl)	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)2(CC[6a]Cl2){1|C<3>,2|H<1>}	Cl(CC[6a]2Cl)	109.1413	3.115	6	109.1413	9.701	6	109.1966	6.882	14	110.0516	5.782	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]Cl2)(Cl)2	C[6a](C[6a]C[6a]H)2(CCl2C)	Cl(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]Cl2)(Cl)2	C[6a](C[6a]C[6a]H)2(CCl2C){1|C<3>,2|H<1>}	Cl(CC[6a]ClC)	110.4020	0.047	2	110.4020	0.002	2	110.4020	0.002	2	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(CC[6a]CH)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.2230	0.000	1	109.2230	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C[6a](C[6a]C[6a]C)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C[6a](C[6a]C[6a]C)2(CClCH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(CC[6a]CH)	110.2760	0.000	1	110.2760	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.1740	0.000	1	109.1740	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.4290	0.000	1	109.4290	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.8175	0.500	4	108.8175	0.250	4	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.8670	0.000	1	108.8670	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.9830	0.000	1	109.9830	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	110.5590	0.000	1	110.5590	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.1660	0.000	1	109.1660	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.7380	0.000	1	108.7380	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.6955	0.252	2	108.6955	0.064	2	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH){1|H<1>,2|C<3>}	Cl(CC[6a]CH)	110.8230	0.000	1	110.8230	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	109.6135	0.493	2	109.6135	0.243	2	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	Cl(CC[6a]CH)	108.4460	0.000	1	108.4460	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH){1|H<1>,2|C<3>}	Cl(CC[6a]CH)	109.5600	0.000	1	109.5600	0.000	1	109.3066	0.505	20	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	Cl(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[5]H)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.3650	0.602	24	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	Cl(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[5]H)	111.8600	0.000	1	111.8600	0.000	1	110.1695	1.561	6	110.5948	1.422	10	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	Cl(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[5]H)	109.8314	1.046	5	109.8314	1.094	5	110.1695	1.561	6	110.5948	1.422	10	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	Cl(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[6]H)	110.5915	0.612	2	110.5915	0.374	2	111.2327	0.758	4	110.5948	1.422	10	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	Cl(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[6]H)	112.2310	0.000	1	112.2310	0.000	1	111.2327	0.758	4	110.5948	1.422	10	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	Cl(CC[6a]C[6]H)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	Cl(CC[6a]C[6]H)	111.5170	0.000	1	111.5170	0.000	1	111.2327	0.758	4	110.5948	1.422	10	110.6616	2.771	195	110.6616	2.771	195
490	643	790	0:SP3_SP-NON_SP2	C	C[6a]	Cl	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:Cl-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2	Cl(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Cl(CC[5x3,5x5,20x6]C[6a]H)	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.6616	2.771	195	110.6616	2.771	195
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	2:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	112.6195	0.086	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	2:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	112.6195	0.086	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	2:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.2580	0.288	2	112.2580	0.083	2	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	110.9930	0.000	1	112.6425	5.442	2	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	114.2920	0.000	1	112.6425	5.442	2	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	111.7490	0.000	1	111.7490	0.000	1	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	114.3700	0.000	1	114.3700	0.000	1	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	114.1760	0.313	2	113.7383	0.623	3	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	112.8630	0.000	1	113.7383	0.623	3	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	113.4113	0.946	3	113.4113	0.894	3	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.5400	0.000	1	112.5400	0.000	1	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	112.9770	0.137	2	112.9770	0.019	2	113.0575	1.120	15	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:As[5a]-2:C-4:	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	113.9640	0.539	2	113.9640	0.290	2	113.9640	0.290	2	113.1406	1.101	19	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	114.8870	0.407	3	114.8870	0.166	3	114.8870	0.166	3	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	113.9425	0.247	2	113.9425	0.061	2	112.9841	1.247	15	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.9435	0.826	4	111.9435	0.682	4	112.9841	1.247	15	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	113.7470	0.177	7	113.7470	0.031	7	112.9841	1.247	15	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	111.4365	0.367	2	111.4365	0.135	2	112.9841	1.247	15	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	114.1780	0.000	1	114.1780	0.000	1	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	112.3390	0.000	1	112.8705	0.565	2	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	113.4020	0.000	1	112.8705	0.565	2	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	114.2650	0.000	1	113.5468	0.613	4	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	113.3073	0.759	3	113.5468	0.613	4	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	115.4640	0.000	1	115.4640	0.000	1	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	113.5030	0.000	1	113.5030	0.000	1	113.6748	0.906	9	113.4450	1.304	28	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:2:4:	4:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	B[5a]-4:C[5a]-3:C-4:	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	111.1980	0.000	1	111.1980	0.000	1	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	110.8190	0.000	1	110.8190	0.000	1	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	112.5830	0.000	1	112.5830	0.000	1	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.5900	0.000	1	111.5733	0.028	3	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	111.7330	0.000	1	111.5733	0.028	3	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	111.3970	0.000	1	111.5733	0.028	3	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](N[5a]C[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	113.1448	0.827	6	113.1448	0.684	6	112.3491	1.164	12	112.3491	1.164	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	113.5050	1.243	4	113.5050	1.545	4	113.5050	1.545	4	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	114.3480	0.544	3	114.3480	0.296	3	113.8328	0.923	6	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	113.8755	0.750	2	113.8755	0.563	2	113.8328	0.923	6	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	112.2020	0.000	1	112.2020	0.000	1	113.8328	0.923	6	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	114.6430	0.000	1	114.6430	0.000	1	112.2490	3.160	4	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.4910	0.000	1	111.4510	0.919	3	112.2490	3.160	4	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	110.9310	0.464	2	111.4510	0.919	3	112.2490	3.160	4	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	112.9814	0.910	5	112.9814	0.829	5	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	114.3850	0.000	1	114.3850	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	112.9220	0.000	1	112.9220	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	112.5570	0.000	1	112.5570	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	111.9060	0.000	1	111.9060	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	111.2880	0.000	1	111.2880	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	115.0990	0.000	1	115.0990	0.000	1	113.0058	1.397	11	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	113.9360	0.000	1	113.9360	0.000	1	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	113.8330	0.943	2	113.8330	0.890	2	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	112.6021	0.795	15	112.6021	0.632	15	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	113.6790	0.112	2	113.6790	0.012	2	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	113.1630	0.799	2	113.1630	0.638	2	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	114.7470	0.000	1	114.7470	0.000	1	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	114.7930	0.000	1	113.3715	1.983	4	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	114.1740	0.000	1	113.3715	1.983	4	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	112.2595	0.900	2	113.3715	1.983	4	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	112.8215	0.450	2	113.1386	1.464	13	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	114.0820	0.232	2	113.1386	1.464	13	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	113.2220	0.000	1	113.1386	1.464	13	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	113.1534	1.486	7	113.1386	1.464	13	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	111.6990	0.000	1	113.1386	1.464	13	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	114.6550	0.000	1	113.0387	1.966	3	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	112.3140	0.000	1	113.0387	1.966	3	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	112.1470	0.000	1	113.0387	1.966	3	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	113.9637	1.737	3	113.9637	3.019	3	113.1383	1.228	46	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	112.2368	0.721	4	112.2368	0.519	4	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.2550	0.000	1	111.2550	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	112.7760	0.000	1	112.7760	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.4345	2.351	2	112.4345	5.528	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	112.6380	0.000	1	112.6380	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	116.2940	0.000	1	116.2940	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.4206	1.188	5	111.4206	1.412	5	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.6430	0.000	1	112.6430	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	112.3900	0.000	1	112.3900	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	113.7635	0.295	2	113.7635	0.087	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.6930	0.000	1	113.5030	1.312	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	114.3130	0.000	1	113.5030	1.312	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	114.5555	0.589	2	114.5555	0.347	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.4115	0.831	2	112.8550	0.935	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	113.7420	0.000	1	112.8550	0.935	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	111.3390	0.000	1	111.3390	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	111.7010	0.899	2	111.7010	0.809	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.0427	1.517	12	112.0427	2.300	12	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	110.5160	0.000	1	110.5160	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	111.7870	0.000	1	111.5815	0.084	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.3760	0.000	1	111.5815	0.084	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.7600	0.163	2	112.0763	0.313	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	112.7090	0.000	1	112.0763	0.313	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	113.0610	0.000	1	113.0610	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	110.9595	0.334	2	110.9595	0.112	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	112.9120	1.694	2	113.3843	2.105	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	114.3290	0.000	1	113.3843	2.105	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	110.3360	0.000	1	110.3360	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.7900	1.284	2	112.7900	1.649	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.2660	0.376	2	112.2660	0.142	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	110.0620	0.000	1	110.0620	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	110.7800	0.000	1	111.4895	1.007	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.1990	0.000	1	111.4895	1.007	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	112.3167	1.411	3	112.3167	1.991	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	111.9523	1.125	10	112.3317	1.468	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	112.6617	1.463	8	112.3317	1.468	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	112.6202	0.780	4	112.3317	1.468	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.4920	0.000	1	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	112.5380	0.000	1	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.8081	0.712	13	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	113.0310	1.609	3	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	113.0780	0.372	2	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	113.6020	0.000	1	112.8755	0.620	21	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	114.0810	0.000	1	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	111.5400	0.030	2	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	113.0064	1.040	16	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	112.5267	0.998	4	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	112.7674	0.826	7	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	111.4380	0.000	1	112.7800	1.032	31	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	114.5517	0.459	3	114.5517	0.210	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	113.6970	0.000	1	112.7760	1.696	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	111.8550	0.000	1	112.7760	1.696	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	113.2307	0.597	3	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	111.8650	0.000	1	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	114.0900	0.949	2	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	112.5540	0.000	1	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	114.1760	0.000	1	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	113.9628	0.971	6	113.5889	0.957	14	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	111.2250	0.065	2	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	114.1690	0.000	1	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.2090	0.000	1	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	112.3082	0.811	6	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	113.6950	0.102	2	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	111.4030	0.000	1	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	112.6523	1.243	7	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	113.5710	0.000	1	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	112.9340	0.000	1	112.5700	1.160	22	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.9910	0.981	2	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	114.2520	0.000	1	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.1965	0.458	4	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	112.6971	0.877	8	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.2180	1.153	45	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	111.9529	1.040	55	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	111.4287	0.191	3	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	112.7970	0.165	2	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	112.5023	0.438	3	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	111.3940	0.000	1	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|C<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	113.1405	0.375	2	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	111.4805	1.469	2	112.1394	1.119	128	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	112.4750	0.000	1	112.9872	0.777	6	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	113.0896	0.945	5	112.9872	0.777	6	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	112.9420	0.000	1	112.9420	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	112.3970	0.687	4	112.3970	0.472	4	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	111.2315	1.005	4	111.2315	1.011	4	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	112.1870	0.000	1	113.3756	0.601	5	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	113.8910	0.180	3	113.3756	0.601	5	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	113.0180	0.000	1	113.3756	0.601	5	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	115.0940	1.822	2	115.0940	3.318	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	114.5010	0.000	1	114.5010	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	113.5750	1.393	2	113.4657	1.006	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	113.2470	0.000	1	113.4657	1.006	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	113.1765	0.903	2	113.1765	0.815	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	112.3320	0.000	1	112.3320	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	112.3410	0.086	2	112.5727	0.165	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	113.0360	0.000	1	112.5727	0.165	3	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	111.6210	0.000	1	112.1487	0.684	7	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	112.4872	0.689	5	112.1487	0.684	7	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	110.9840	0.000	1	112.1487	0.684	7	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|B<3>,1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	112.4060	0.000	1	112.3355	0.010	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	112.2650	0.000	1	112.3355	0.010	2	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	113.4060	0.000	1	113.4060	0.000	1	112.4654	1.388	351	112.5748	1.452	423	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	115.1940	0.000	1	115.1940	0.000	1	114.9470	0.122	2	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	114.7000	0.000	1	114.7000	0.000	1	114.9470	0.122	2	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	113.6410	0.000	1	113.6410	0.000	1	112.6939	1.014	7	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	113.3495	0.664	2	113.3495	0.441	2	112.6939	1.014	7	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	112.5400	1.114	2	112.5400	1.242	2	112.6939	1.014	7	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.7185	0.835	2	111.7185	0.697	2	112.6939	1.014	7	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]2)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]2)2(CN[5a]HH){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.1270	0.000	1	112.1270	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	110.6890	0.000	1	110.6890	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	112.0990	0.000	1	112.0990	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.3210	0.912	3	112.7272	0.573	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.9710	0.624	5	112.7272	0.573	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	113.6580	0.000	1	113.6580	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	114.8170	0.000	1	114.8170	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|H<1>}	111.4540	0.000	1	111.4540	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	112.9060	0.000	1	112.9060	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.8070	0.000	1	111.8070	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	113.8900	0.000	1	113.8900	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	113.4300	0.000	1	113.4300	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	112.2630	0.000	1	112.2630	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	112.6810	0.000	1	112.6810	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.6889	1.493	10	111.5962	1.875	12	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.1325	0.202	2	111.5962	1.875	12	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.4550	0.000	1	111.4550	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	113.3201	1.477	7	113.3201	2.181	7	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.8450	0.000	1	114.8450	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	113.5200	0.000	1	113.5200	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	111.7010	0.000	1	111.7010	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	113.8560	0.553	2	113.8560	0.306	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH){2|C<3>}	113.4140	0.000	1	113.4140	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	113.4580	0.000	1	113.4580	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	113.3240	0.000	1	113.9701	0.498	14	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	113.6860	0.000	1	113.9701	0.498	14	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	114.6985	0.523	2	113.9701	0.498	14	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	114.0270	0.664	9	113.9701	0.498	14	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	112.9310	0.000	1	113.9701	0.498	14	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	112.7100	1.157	2	112.7993	0.632	7	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	113.7070	0.000	1	112.7993	0.632	7	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	112.6170	0.703	4	112.7993	0.632	7	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	112.5390	0.000	1	112.5390	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	114.5240	0.000	1	114.5240	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	114.6460	0.000	1	114.6460	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	114.3260	0.000	1	113.3497	0.790	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	113.1350	0.000	1	113.3497	0.790	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	112.5880	0.000	1	113.3497	0.790	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	112.5160	0.000	1	113.6355	2.507	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	114.7550	0.000	1	113.6355	2.507	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	112.2380	0.000	1	113.6100	1.436	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	114.2960	0.221	2	113.6100	1.436	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	115.4410	0.000	1	115.4410	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	114.0470	0.000	1	114.0470	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	113.3980	0.000	1	113.3980	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	111.7400	0.000	1	111.7400	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	114.0940	0.000	1	114.0940	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	114.3953	1.351	3	114.3953	1.826	3	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.6030	0.000	1	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.2265	0.155	2	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.8492	1.284	10	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	113.5810	0.919	2	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	112.1779	1.474	22	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	112.7460	0.000	1	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	113.4493	1.408	3	112.4565	1.947	41	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	114.8275	0.037	2	114.8275	0.001	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	113.6570	0.074	2	113.4290	0.243	4	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	112.6930	0.000	1	113.4290	0.243	4	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|O<2>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	113.7090	0.000	1	113.4290	0.243	4	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	112.4983	0.172	3	113.4190	2.348	26	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	113.5390	1.592	23	113.4190	2.348	26	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	112.3160	0.000	1	112.3160	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	112.5300	0.249	2	112.5300	0.062	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	112.6480	0.000	1	112.6480	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	113.9090	0.000	1	113.9090	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	112.1285	1.654	2	112.4163	1.257	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	111.8640	0.504	4	112.4163	1.257	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	113.6670	0.000	1	112.4163	1.257	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.9500	0.000	1	112.4163	1.257	8	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){4|C<3>}	116.0320	0.000	1	116.0320	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	112.1080	0.000	1	112.1080	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	111.8880	0.182	2	111.8880	0.033	2	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	109.9690	0.000	1	109.9690	0.000	1	112.9612	1.925	179	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	113.0510	0.000	1	113.0510	0.000	1	112.3850	6.943	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	114.6230	0.000	1	114.6230	0.000	1	112.3850	6.943	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	109.4810	0.000	1	109.4810	0.000	1	112.3850	6.943	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	114.4445	0.349	2	114.4445	0.122	2	113.4847	2.825	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.5650	0.000	1	111.5650	0.000	1	113.4847	2.825	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	112.6480	1.063	3	112.6480	1.130	3	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	110.0140	0.000	1	110.0140	0.000	1	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	116.3620	0.000	1	116.3620	0.000	1	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	113.6680	0.000	1	112.7090	1.839	2	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	111.7500	0.000	1	112.7090	1.839	2	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	114.0690	0.000	1	112.3470	5.931	2	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	110.6250	0.000	1	112.3470	5.931	2	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	115.0270	0.000	1	115.0270	0.000	1	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	112.0920	0.000	1	112.0920	0.000	1	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	114.8870	0.000	1	114.8870	0.000	1	113.0365	3.647	12	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.7660	0.000	1	111.9645	2.873	2	112.5067	2.318	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.1630	0.000	1	111.9645	2.873	2	112.5067	2.318	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	113.5910	0.000	1	113.5910	0.000	1	112.5067	2.318	3	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.3720	0.000	1	114.5450	1.368	2	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.7180	0.000	1	114.5450	1.368	2	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	113.5630	0.157	2	114.1578	0.332	5	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.4655	0.275	2	114.1578	0.332	5	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.7320	0.000	1	114.1578	0.332	5	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	113.5405	0.852	2	113.3365	0.918	6	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.8320	0.000	1	113.3365	0.918	6	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.1550	0.000	1	113.3365	0.918	6	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	111.6440	0.000	1	113.3365	0.918	6	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.3070	0.000	1	113.3365	0.918	6	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	114.3440	0.000	1	114.3440	0.000	1	113.8417	0.769	15	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	115.4190	0.000	1	115.4190	0.000	1	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	113.7533	1.153	3	113.7533	1.329	3	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	114.9090	0.000	1	114.9090	0.000	1	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	113.4150	0.000	1	113.4150	0.000	1	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	112.3930	0.605	2	112.3930	0.366	2	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	114.5210	0.000	1	114.5210	0.000	1	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	115.3160	0.588	2	115.3160	0.346	2	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	114.2270	0.000	1	114.2270	0.000	1	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	113.5235	2.939	2	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	114.0145	0.465	2	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	115.5150	0.174	2	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	114.4535	0.678	2	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	114.2630	0.000	1	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	113.6909	1.022	23	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	112.2980	0.000	1	113.8323	1.312	33	113.9030	1.322	45	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	114.0320	0.000	1	114.0320	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	111.0000	0.000	1	111.0000	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	111.2760	0.000	1	111.2760	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.4250	0.000	1	113.4250	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.2620	0.000	1	113.2620	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	114.6150	0.000	1	113.5910	2.097	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	112.5670	0.000	1	113.5910	2.097	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.0540	1.226	3	116.0540	1.503	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	114.2200	0.332	3	114.2200	0.110	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	113.8577	0.616	4	113.8370	0.815	8	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	114.1407	1.284	3	113.8370	0.815	8	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.8430	0.000	1	113.8370	0.815	8	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.1770	0.518	3	112.1770	0.269	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	115.2425	1.544	2	115.2425	2.383	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	113.1820	0.000	1	113.1820	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.9450	0.089	2	113.1446	1.004	7	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	113.1960	0.863	2	113.1446	1.004	7	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.9600	2.162	2	113.1446	1.004	7	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	113.8100	0.000	1	113.1446	1.004	7	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.9680	0.000	1	112.9680	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	111.9640	0.000	1	111.9640	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.4995	0.962	4	113.4995	0.926	4	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.7653	0.985	3	112.7653	0.970	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	112.6480	0.000	1	112.6480	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	112.1630	0.000	1	112.1630	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	115.2955	0.207	2	115.2955	0.043	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	114.1600	0.064	4	114.1600	0.004	4	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	117.0760	0.000	1	117.0760	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.1190	0.000	1	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	114.6970	0.238	2	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	113.4240	0.000	1	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	111.8510	1.332	2	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	114.1830	0.666	2	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	112.3990	0.000	1	113.3782	1.593	9	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.3070	0.000	1	113.3070	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	114.5442	0.112	11	114.5507	0.137	15	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	114.6250	0.000	1	114.5507	0.137	15	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	114.5497	0.944	3	114.5507	0.137	15	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	112.3240	0.000	1	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	114.2540	0.000	1	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.5607	0.935	18	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	114.5190	0.000	1	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	113.2920	0.800	2	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	113.9030	0.000	1	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	113.2168	1.295	21	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	114.1365	0.428	2	113.4362	1.193	47	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.1435	0.431	2	113.1435	0.185	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	113.7310	1.229	3	114.0440	1.195	26	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	112.8383	0.555	4	114.0440	1.195	26	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	114.3472	1.002	19	114.0440	1.195	26	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|F<1>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.6410	0.000	1	113.7083	1.064	20	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.7352	1.054	17	113.7083	1.064	20	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.2700	0.000	1	113.7083	1.064	20	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	114.7570	0.000	1	113.7083	1.064	20	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	112.2645	1.036	2	112.9638	1.540	4	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	113.6630	1.261	2	112.9638	1.540	4	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	111.3665	0.508	2	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	112.3590	0.714	2	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	112.4950	0.000	1	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.8541	1.372	19	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	112.9070	0.000	1	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.7560	0.694	3	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.3840	1.227	3	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.0540	0.546	2	113.0185	1.732	33	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	114.9240	0.000	1	113.7940	2.554	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	112.6640	0.000	1	113.7940	2.554	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	114.0860	0.000	1	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	113.1238	1.050	12	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	115.7160	0.000	1	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	113.8050	0.000	1	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	111.3800	0.000	1	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	113.9325	0.035	2	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	114.1535	0.535	6	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.0110	0.000	1	113.4108	1.667	25	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH){1|O<1>,2|N<3>}	114.3540	0.000	1	114.3540	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	111.7110	0.000	1	113.4432	1.932	6	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	113.9890	0.000	1	113.4432	1.932	6	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	114.1240	0.000	1	113.4432	1.932	6	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	113.4995	2.395	2	113.4432	1.932	6	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	113.8360	0.000	1	113.4432	1.932	6	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	113.5500	0.000	1	113.5500	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	113.3280	0.000	1	113.3280	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	114.7140	0.000	1	114.7140	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	112.8430	0.000	1	112.8430	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	110.1980	0.000	1	112.4662	2.269	5	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	113.0332	0.939	4	112.4662	2.269	5	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	112.4430	0.000	1	112.4430	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	115.4300	0.000	1	114.9590	0.444	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	114.4880	0.000	1	114.9590	0.444	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	114.2600	0.000	1	114.2600	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	112.9990	1.057	4	112.9990	1.117	4	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	112.7825	1.331	23	112.7825	1.771	23	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	113.1540	1.085	2	113.1333	0.590	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	113.0920	0.000	1	113.1333	0.590	3	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	113.5275	1.370	2	113.5275	1.876	2	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	113.4390	0.000	1	113.4390	0.000	1	113.4876	1.554	289	113.3363	1.781	559	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	110.7065	0.893	2	110.7065	0.798	2	110.7065	0.798	2	110.5350	0.487	3	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	110.5350	0.487	3	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.4188	0.584	5	111.4188	0.584	5	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	111.9585	0.655	2	111.3300	0.726	4	111.4188	0.584	5	111.4188	0.584	5	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	110.7015	0.409	2	111.3300	0.726	4	111.4188	0.584	5	111.4188	0.584	5	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	113.9520	0.000	1	113.9520	0.000	1	113.7270	0.101	2	113.7270	0.101	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:2:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	113.5020	0.000	1	113.5020	0.000	1	113.7270	0.101	2	113.7270	0.101	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:2:4:	3:4:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:N[5a]-2:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	112.5210	1.749	2	112.5210	3.060	2	112.5210	3.060	2	112.5210	3.060	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:2:4:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.4759	1.673	12	112.4144	2.736	14	112.4144	2.736	14	112.4144	2.736	14	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:2:4:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.0450	2.116	2	112.4144	2.736	14	112.4144	2.736	14	112.4144	2.736	14	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	112.3700	0.000	1	112.3700	0.000	1	111.4670	1.631	2	111.4670	1.631	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	110.5640	0.000	1	110.5640	0.000	1	111.4670	1.631	2	111.4670	1.631	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.1395	0.299	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	111.1395	0.299	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.7030	0.287	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	111.7030	0.287	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H){1|H<1>,3|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.3540	1.346	4	112.3540	1.813	4	112.3540	1.813	4	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	111.9017	0.452	4	111.9017	0.204	4	111.9017	0.204	4	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]2H){2|H<1>,3|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.2088	1.481	4	112.2088	2.194	4	112.2088	2.194	4	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H){1|O<2>,2|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.6442	2.244	4	112.6442	5.036	4	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	112.9450	0.593	2	112.9450	0.351	2	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|C<4>,1|S<2>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	113.0370	2.539	2	112.6255	2.457	10	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	113.0295	1.071	2	112.6255	2.457	10	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	112.2255	2.097	4	112.6255	2.457	10	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.6100	0.158	2	112.6255	2.457	10	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	113.2440	1.674	4	113.2440	2.802	4	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,2|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.3779	1.584	14	112.3787	2.201	16	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	112.3850	0.632	2	112.3787	2.201	16	112.6044	2.334	36	112.4920	2.055	48	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	109.8895	0.466	2	109.8895	0.217	2	109.8895	0.217	2	109.8895	0.217	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C[6,6a]-3:C-4:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>}	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	110.4510	0.000	1	110.4510	0.000	1	110.5860	0.304	6	110.5860	0.304	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	110.8030	0.802	2	110.8030	0.643	2	110.5860	0.304	6	110.5860	0.304	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	111.1610	0.000	1	111.1610	0.000	1	110.5860	0.304	6	110.5860	0.304	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	110.1490	0.233	2	110.1490	0.054	2	110.5860	0.304	6	110.5860	0.304	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	110.8110	0.000	1	110.8110	0.000	1	110.2766	0.353	5	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	110.1430	0.593	4	110.1430	0.352	4	110.2766	0.353	5	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H){2|H<1>,4|C<3>}	111.3875	1.725	2	111.3875	2.974	2	111.3875	2.974	2	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	110.6110	0.000	1	110.6110	0.000	1	111.7453	1.132	6	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	110.2650	0.000	1	110.2650	0.000	1	111.7453	1.132	6	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	112.3160	0.659	2	112.3160	0.434	2	111.7453	1.132	6	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	112.4130	0.000	1	112.4130	0.000	1	111.7453	1.132	6	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	112.5510	0.000	1	112.5510	0.000	1	111.7453	1.132	6	111.1254	1.341	13	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:N[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	111.0335	0.511	2	111.0335	0.261	2	111.0335	0.261	2	111.0335	0.261	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:2:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	108.7330	1.411	4	108.7330	1.990	4	108.7330	1.990	4	109.0048	2.485	8	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:2:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	109.2765	1.900	4	109.2765	3.612	4	109.2765	3.612	4	109.0048	2.485	8	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	2:2:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CN[5a]3)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CN[5a]3){1|N<2>,2|C<4>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.2722	2.273	9	109.2722	5.166	9	109.2722	5.166	9	109.2722	5.166	9	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]3)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]3){1|C<3>,2|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.6753	1.229	3	110.6753	1.511	3	110.8918	1.870	12	110.8918	1.870	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]3)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]3){1|C<3>,2|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.9640	1.473	9	110.9640	2.170	9	110.8918	1.870	12	110.8918	1.870	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	2:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3){1|C<3>}	107.6307	2.037	6	107.6307	4.150	6	107.6307	4.150	6	107.6307	4.150	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	108.5610	2.092	3	108.4398	3.860	6	108.4398	3.860	6	108.4398	3.860	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	108.3187	2.287	3	108.4398	3.860	6	108.4398	3.860	6	108.4398	3.860	6	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	106.0520	0.000	1	106.6077	0.255	3	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	106.8855	0.214	2	106.6077	0.255	3	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	108.2287	2.245	3	108.4028	5.002	21	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	107.6620	2.388	12	108.4028	5.002	21	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	110.1385	0.254	2	108.4028	5.002	21	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	109.8880	1.369	4	108.4028	5.002	21	108.1784	4.740	24	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	108.6897	2.591	3	108.6897	6.713	3	108.1833	4.986	12	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	108.0144	2.247	9	108.0144	5.050	9	108.1833	4.986	12	108.1800	4.682	36	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:4:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	110.3950	0.348	2	110.3950	0.121	2	110.8093	1.603	4	110.8093	1.603	4	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:4:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<2>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	111.2235	2.000	2	111.2235	4.002	2	110.8093	1.603	4	110.8093	1.603	4	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:4:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	108.5773	0.356	12	108.5773	0.127	12	108.5773	0.127	12	108.5773	0.127	12	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:3:4:	4:3:3:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C-4:N[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[6a](CC[5a]N[5a]C)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[6a](CC[5a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	108.2130	0.000	1	108.2130	0.000	1	110.5740	11.149	2	110.5740	11.149	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	2:2:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	112.9350	0.000	1	112.9350	0.000	1	110.5740	11.149	2	110.5740	11.149	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	111.8305	0.032	2	111.8305	0.001	2	111.8305	0.001	2	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	109.3130	0.000	1	109.3130	0.000	1	111.3910	2.008	4	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	112.1695	0.472	2	112.1695	0.222	2	111.3910	2.008	4	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	111.9120	0.000	1	111.9120	0.000	1	111.3910	2.008	4	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	111.0340	0.000	1	111.0340	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	111.9995	0.418	2	111.9995	0.175	2	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	111.0850	0.000	1	111.0850	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	109.1390	0.000	1	109.1390	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	111.7947	0.505	3	111.7947	0.255	3	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	110.2940	0.000	1	110.2940	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	111.6230	0.000	1	111.6230	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	111.7360	0.000	1	111.7360	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	112.6490	0.000	1	112.6490	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	110.6570	0.000	1	110.6570	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	110.3160	0.000	1	110.3160	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	110.5060	0.000	1	110.5060	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	112.1990	0.000	1	112.1990	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	112.5880	0.000	1	112.5880	0.000	1	111.3652	0.920	17	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	111.4655	0.992	24	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	110.6630	0.884	4	110.6630	0.781	4	110.6630	0.781	4	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	110.3850	0.000	1	110.3850	0.000	1	109.7315	1.362	4	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	108.4060	0.000	1	108.4060	0.000	1	109.7315	1.362	4	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH){2|C<3>}	110.0675	1.295	2	110.0675	1.676	2	109.7315	1.362	4	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	110.4215	0.026	2	110.4215	0.001	2	110.0913	0.297	7	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	110.9180	0.000	1	110.9180	0.000	1	110.0913	0.297	7	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH){1|C<3>,1|S<2>}	109.7195	0.329	4	109.7195	0.108	4	110.0913	0.297	7	110.1478	0.713	15	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:2:	3:3:4:	3:2:4:	N[5a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[6a](C[6a]C[6a]H)2(CN[5a]CC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[6a](C[6a]C[6a]H)2(CN[5a]CC){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[6a]-3:N[5a]-3:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:4:3:1:	3:3:4:	3:2:4:	N[5a]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	110.6040	0.081	2	110.6040	0.006	2	110.6040	0.006	2	110.6040	0.006	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP2	C	C[6a]	N[5a]	3:4:3:3:	4:3:3:	4:3:2:	N[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	106.5600	4.820	2	106.5600	23.229	2	106.5600	23.229	2	106.5600	23.229	2	112.5387	3.312	1292	112.5387	3.312	1292
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	114.3728	4.332	5	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	114.3728	4.332	5	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5040	0.000	1	117.5040	0.000	1	114.9403	7.386	3	114.3728	4.332	5	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	115.2260	0.000	1	115.2260	0.000	1	114.9403	7.386	3	114.3728	4.332	5	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	112.0910	0.000	1	112.0910	0.000	1	114.9403	7.386	3	114.3728	4.332	5	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	109.1050	0.000	1	109.1050	0.000	1	110.2075	2.431	2	110.2075	2.431	2	113.1827	7.424	7	113.1827	7.424	7
490	643	813	0:SP3_SP2_SP3	C	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	111.3100	0.000	1	111.3100	0.000	1	110.2075	2.431	2	110.2075	2.431	2	113.1827	7.424	7	113.1827	7.424	7