856	474	490	0:SP2_SP3_SP3	N[6,6]	C[5,3x6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C(N[6,6]C[5,3x6]C[6,6])(H)3	122.3930	0.000	1	122.6335	0.116	2	122.9067	0.282	3	122.9067	0.282	3	123.0995	0.337	4	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6,6]	C[5,3x6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	C(N[6,6]C[5,3x6]C[6,6])(H)3	122.8740	0.000	1	122.6335	0.116	2	122.9067	0.282	3	122.9067	0.282	3	123.0995	0.337	4	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6,6]	C[5,3x6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	C(N[6,6]C[5,3x6]C[6,6])(H)3	123.4530	0.000	1	123.4530	0.000	1	122.9067	0.282	3	122.9067	0.282	3	123.0995	0.337	4	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6,6]	C[5,3x6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(N[6,6]C[5,3x6]C[6,6])(H)3	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.0995	0.337	4	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,3x6]	C	4:3:4:	3:3:4:3:	3:3:1:1:	C[5,3x6]-4:C[6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C)	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C){10|C<3>,1|O<1>}	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[6]-3:C-4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	C(N[6]C[5,5,6]C[6])(CH3)(H)2	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(N[6]C[5,5,6]C[6])(CH3)(H)2	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6,6]	C	4:3:4:	4:2:4:3:	3:3:1:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	117.0712	0.307	9	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6,6]	C	4:3:4:	4:2:4:3:	3:3:4:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	117.0238	0.572	8	117.0238	0.327	8	117.0238	0.327	8	117.0238	0.327	8	117.0712	0.307	9	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	3:3:3:3:	3:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	114.9455	1.360	2	114.9455	1.849	2	114.9455	1.849	2	114.9455	1.849	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:C-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	3:3:4:4:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:2:2:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	C(N[6]C[5,6]C[6])(H)3	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:2:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5a,6]-3:N[5]-3:N[6]-3:S[5]-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5])	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5]){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C(N[6]C[5,6]C[6])(CH3)(H)2	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(H)3	115.3630	0.000	1	115.3630	0.000	1	116.2325	1.512	2	116.2325	1.512	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(H)3	117.1020	0.000	1	117.1020	0.000	1	116.2325	1.512	2	116.2325	1.512	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.0150	0.713	2	117.0150	0.508	2	117.0150	0.508	2	117.0150	0.508	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:4:3:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	116.0700	0.000	1	116.0700	0.000	1	116.0700	0.000	1	116.0700	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	118.3883	3.115	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	119.3590	0.000	1	119.4070	0.005	2	119.4070	0.005	2	118.3883	3.115	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	119.4550	0.000	1	119.4070	0.005	2	119.4070	0.005	2	118.3883	3.115	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6,6a]-3:C-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.5580	0.072	2	117.5580	0.005	2	117.5580	0.005	2	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.4260	0.000	1	117.4260	0.000	1	117.4260	0.000	1	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5a]-3:N[6]-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	118.0010	0.000	1	118.0010	0.000	1	118.0010	0.000	1	117.0997	1.106	7	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[5,6]C[6])(H)3	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(H)3	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	119.5337	0.606	4	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	119.5140	0.952	3	119.5140	0.906	3	119.5140	0.906	3	119.5337	0.606	4	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	115.1135	1.333	2	115.1135	1.777	2	115.1135	1.777	2	114.9240	0.996	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	114.5450	0.000	1	114.5450	0.000	1	114.5450	0.000	1	114.9240	0.996	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(CH3)(H)2	117.3385	0.435	2	115.9680	5.729	3	115.9680	5.729	3	115.9680	5.729	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C(N[6]C[5,6]C[6])(CH3)(H)2	113.2270	0.000	1	115.9680	5.729	3	115.9680	5.729	3	115.9680	5.729	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(H)3	119.8305	0.657	2	119.8305	0.432	2	119.8305	0.432	2	119.8305	0.432	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:2:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	119.4210	0.292	6	119.4210	0.085	6	119.4210	0.085	6	119.4210	0.085	6	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(H)3	115.6120	0.000	1	115.6120	0.000	1	117.9237	2.706	4	117.9237	2.706	4	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Pd<4>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(H)3	118.6943	0.705	3	118.6943	0.496	3	117.9237	2.706	4	117.9237	2.706	4	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	121.7886	0.737	5	121.7886	0.543	5	121.3218	1.741	6	121.3218	1.741	6	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Ni<4>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	118.9880	0.000	1	118.9880	0.000	1	121.3218	1.741	6	121.3218	1.741	6	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(CH3)(H)2	121.0095	0.965	2	119.8493	4.504	3	119.8493	4.504	3	119.8493	4.504	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C(N[6]C[5,6]C[6])(CH3)(H)2	117.5290	0.000	1	119.8493	4.504	3	119.8493	4.504	3	119.8493	4.504	3	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:4:2:	4:3:3:4:	3:3:1:1:	C[5,6]-4:C-4:N[6]-2:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	123.4020	0.909	2	123.4020	0.827	2	123.4020	0.827	2	123.4020	0.827	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	119.0910	0.000	1	120.1565	2.271	2	120.1565	2.271	2	120.1565	2.271	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP2_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	121.2220	0.000	1	120.1565	2.271	2	120.1565	2.271	2	120.1565	2.271	2	118.3423	5.674	61	118.4974	6.304	76
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	C(N[6]C[5,6,6]C[6])(H)3	116.0420	0.049	2	116.0420	0.002	2	116.0420	0.002	2	116.0420	0.002	2	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6])(H)3	113.0185	0.071	2	113.0185	0.005	2	113.0185	0.005	2	113.0185	0.005	2	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	113.2230	0.000	1	114.0087	1.310	3	114.0087	1.310	3	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	114.4015	1.302	2	114.0087	1.310	3	114.0087	1.310	3	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	112.2290	0.052	2	113.1129	0.842	14	112.9539	1.161	15	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	113.3210	0.500	4	113.1129	0.842	14	112.9539	1.161	15	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	113.4074	1.047	7	113.1129	0.842	14	112.9539	1.161	15	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	111.9860	0.000	1	113.1129	0.842	14	112.9539	1.161	15	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(H)2	110.7280	0.000	1	110.7280	0.000	1	112.9539	1.161	15	113.1297	1.274	18	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6,6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	116.6360	0.170	2	116.6360	0.029	2	116.6360	0.029	2	116.6360	0.029	2	113.6553	2.463	24	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	3:3:3:3:	3:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	115.5738	1.407	9	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	3:4:4:	3:3:3:3:	3:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	115.3469	1.039	8	115.3469	1.079	8	115.3469	1.079	8	115.5738	1.407	9	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C(N[6]C[5,6]C[6])(H)3	116.3860	0.000	1	116.3860	0.000	1	116.3860	0.000	1	116.3860	0.000	1	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(CHHN)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(CHHN)(H)2	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	113.6692	3.711	5	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	114.5167	0.892	3	114.5167	0.796	3	114.4827	0.536	4	113.6692	3.711	5	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	114.3810	0.000	1	114.3810	0.000	1	114.4827	0.536	4	113.6692	3.711	5	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:2:2:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[5,6]C[6])(H)3	112.8170	0.435	3	112.8170	0.189	3	112.8170	0.189	3	112.2600	1.367	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(H)3	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	112.2600	1.367	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	111.3970	0.000	1	111.9760	0.670	2	111.9760	0.670	2	112.1625	6.615	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[6a]-3:N[6]-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	112.5550	0.000	1	111.9760	0.670	2	111.9760	0.670	2	112.1625	6.615	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	112.1625	6.615	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[6]-3:N-3:H-1:H-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	112.1625	6.615	4	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:3:3:2:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(N[6]C[5,6]C[6])(CCHH)(H)2	120.3160	0.359	2	120.3160	0.129	2	120.3160	0.129	2	120.3160	0.129	2	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	111.8750	0.000	1	111.8750	0.000	1	111.2920	0.680	2	111.2920	0.680	2	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	110.7090	0.000	1	110.7090	0.000	1	111.2920	0.680	2	111.2920	0.680	2	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	113.4200	0.007	2	113.4200	0.000	2	113.8227	0.486	3	113.8227	0.486	3	114.3005	7.521	34	114.0335	5.451	58
856	474	490	0:SP3_SP3_SP3	N[6]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	114.6280	0.000	1	114.6280	0.000	1	113.8227	0.486	3	113.8227	0.486	3	114.3005	7.521	34	114.0335	5.451	58
856	474	542	6:SP3_SP2_SP3	N[6]	C[5,6]	N[5,6]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|H<1>,1|N<3>,3|C<4>}	111.5763	1.440	3	111.5763	2.074	3	111.5763	2.074	3	111.0242	2.602	4	111.3167	2.287	6	111.3167	2.287	6
856	474	542	6:SP3_SP2_SP3	N[6]	C[5,6]	N[5,6]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O)	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>}	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	111.0242	2.602	4	111.3167	2.287	6	111.3167	2.287	6
856	474	542	6:SP3_SP2_SP3	N[6]	C[5,6]	N[5,6]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|C<3>,1|N<3>,3|C<4>}	111.9015	1.614	2	111.9015	2.606	2	111.9015	2.606	2	111.9015	2.606	2	111.3167	2.287	6	111.3167	2.287	6
856	474	622	6:SP2_SP3_SP3	N[6]	C[5,6]	O[6]	4:3:2:	3:3:4:3:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	106.2590	0.000	1	106.2590	0.000	1	106.3360	0.012	2	106.3360	0.012	2	106.3360	0.012	2	106.3360	0.012	2
856	474	622	6:SP2_SP3_SP3	N[6]	C[5,6]	O[6]	4:3:2:	3:3:4:3:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	106.4130	0.000	1	106.4130	0.000	1	106.3360	0.012	2	106.3360	0.012	2	106.3360	0.012	2	106.3360	0.012	2
856	474	622	6:SP3_SP3_SP3	N[6]	C[5,6]	O[6]	4:3:2:	3:3:4:3:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6]-4:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	108.8463	7.036	3	108.8463	7.036	3
856	474	622	6:SP3_SP3_SP3	N[6]	C[5,6]	O[6]	4:3:2:	4:3:2:1:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-4:	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.9805	2.521	2	109.9805	6.355	2	109.9805	6.355	2	109.9805	6.355	2	108.8463	7.036	3	108.8463	7.036	3
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.2375	0.400	2	119.4027	10.180	3	119.4027	10.180	3	117.0620	15.410	5	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.7330	0.000	1	119.4027	10.180	3	119.4027	10.180	3	117.0620	15.410	5	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	113.8610	0.000	1	113.5510	0.192	2	113.5510	0.192	2	117.0620	15.410	5	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	113.2410	0.000	1	113.5510	0.192	2	113.5510	0.192	2	117.0620	15.410	5	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-2:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.7520	0.079	2	117.7520	0.006	2	117.7520	0.006	2	119.5693	9.911	3	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	123.2040	0.000	1	123.2040	0.000	1	123.2040	0.000	1	119.5693	9.911	3	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.1833	0.325	3	119.1833	0.106	3	119.1833	0.106	3	119.6901	1.046	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,4|C<4>}	119.0315	0.284	2	119.0315	0.080	2	119.0315	0.080	2	119.6901	1.046	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.1090	0.564	2	121.1090	0.318	2	121.1090	0.318	2	119.6901	1.046	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	121.8143	7.977	4	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	124.0260	1.665	2	124.0260	2.771	2	124.0260	2.771	2	121.8143	7.977	4	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	121.8143	7.977	4	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.8545	0.189	2	119.8545	0.036	2	119.8545	0.036	2	119.8545	0.036	2	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.3040	0.587	2	118.3040	0.344	2	118.3040	0.344	2	118.3040	0.344	2	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	120.0590	0.000	1	120.0590	0.000	1	120.0590	0.000	1	120.0590	0.000	1	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.2735	3.027	2	114.2735	9.163	2	114.5577	3.236	4	114.3954	2.623	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.8420	0.471	2	114.8420	0.222	2	114.5577	3.236	4	114.3954	2.623	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd){2|C<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.1790	1.701	3	114.1790	2.892	3	114.1790	2.892	3	114.3954	2.623	7	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6a]	4:4:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	118.2717	10.308	33	118.3029	9.861	35
856	474	643	0:SP2_SP2_SP3	N[6]	C[5]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.8180	2.201	2	118.8180	4.842	2	118.8180	4.842	2	118.8180	4.842	2	118.8180	4.842	2	118.3029	9.861	35
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	116.3350	5.255	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	116.3350	5.255	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:2:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.6835	0.310	2	119.6835	0.096	2	119.6835	0.096	2	119.6835	0.096	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.0645	0.462	2	119.0645	0.213	2	119.0645	0.213	2	119.0645	0.213	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.9270	0.000	1	120.9270	0.000	1	118.8830	8.356	2	118.8830	8.356	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.8390	0.000	1	116.8390	0.000	1	118.8830	8.356	2	118.8830	8.356	2	118.4268	2.976	11	118.4694	2.728	12
856	474	643	0:SP3_SP2_SP3	N[6]	C[5,6]	C[6a]	4:4:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	118.4268	2.976	11	118.4694	2.728	12
856	474	643	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	114.5853	0.173	3	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	114.1050	0.000	1	114.1050	0.000	1	114.1050	0.000	1	114.1050	0.000	1	114.5853	0.173	3	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	114.5853	0.173	3	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6,6]	C[5,6]	C[6,6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6])	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6]){1|C<4>,3|C<3>,5|H<1>}	125.6810	0.000	1	125.6810	0.000	1	125.6810	0.000	1	125.6810	0.000	1	125.6810	0.000	1	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,5,6,6]	C[6,6a]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H)	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,5,6]	C[6,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H)	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	121.4430	0.321	2	121.4430	0.103	2	121.4430	0.103	2	121.4430	0.103	2	119.5138	5.001	4	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	117.5060	0.000	1	117.5845	0.012	2	117.5845	0.012	2	117.5845	0.012	2	119.5138	5.001	4	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	117.6630	0.000	1	117.5845	0.012	2	117.5845	0.012	2	117.5845	0.012	2	119.5138	5.001	4	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	115.8200	0.000	1	115.8200	0.000	1	118.0780	10.197	2	118.0780	10.197	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.3360	0.000	1	120.3360	0.000	1	118.0780	10.197	2	118.0780	10.197	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.5610	0.286	2	119.5610	0.082	2	119.5610	0.082	2	119.5610	0.082	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	119.1020	1.464	2	119.1020	2.142	2	115.9179	6.711	7	116.5965	9.436	8	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	115.5880	0.000	1	114.6442	2.433	5	115.9179	6.711	7	116.5965	9.436	8	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	114.4082	1.695	4	114.6442	2.433	5	115.9179	6.711	7	116.5965	9.436	8	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	116.5965	9.436	8	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.2240	0.000	1	123.2240	0.000	1	123.2240	0.000	1	123.2240	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|S<3>,3|C<4>,3|H<1>}	117.2360	0.000	1	117.2360	0.000	1	117.2360	0.000	1	117.2360	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	117.3370	0.181	2	117.3370	0.033	2	117.3370	0.033	2	117.3370	0.033	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	118.6293	4.095	3	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.6570	0.000	1	119.6570	0.000	1	119.7950	0.038	2	118.6293	4.095	3	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.9330	0.000	1	119.9330	0.000	1	119.7950	0.038	2	118.6293	4.095	3	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	117.2190	0.000	1	117.2190	0.000	1	118.2330	2.056	2	118.2330	2.056	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	119.2470	0.000	1	119.2470	0.000	1	118.2330	2.056	2	118.2330	2.056	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,5|H<1>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	119.7870	0.000	1	118.6795	2.453	2	118.6795	2.453	2	118.6795	2.453	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	117.5720	0.000	1	118.6795	2.453	2	118.6795	2.453	2	118.6795	2.453	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	119.1710	0.105	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	119.1710	0.105	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|H<1>,4|C<3>}	122.6620	0.000	1	123.0440	0.292	2	123.0440	0.292	2	123.0440	0.292	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	123.4260	0.000	1	123.0440	0.292	2	123.0440	0.292	2	123.0440	0.292	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:4:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.9100	2.910	2	114.9100	8.471	2	114.9100	8.471	2	114.9100	8.471	2	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	118.5690	8.785	42	118.5254	9.555	52
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6,6]	C[6,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|H<1>,4|C<3>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	119.0995	1.059	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	119.0995	1.059	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	3:4:4:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.3110	0.000	2	119.3110	0.000	2	119.3110	0.000	2	119.3110	0.000	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	119.7790	3.036	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	119.7790	3.036	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	114.5950	0.000	1	115.3380	1.698	5	115.3380	1.698	5	115.3380	1.698	5	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	115.5238	1.426	4	115.3380	1.698	5	115.3380	1.698	5	115.3380	1.698	5	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,5|H<1>}	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	116.8010	9.279	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,3|H<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	116.8010	9.279	2	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|H<1>,4|C<4>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	117.3405	0.162	2	117.3405	0.026	2	117.3405	0.026	2	117.7529	1.328	10	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	117.8560	1.282	8	117.8560	1.643	8	117.8560	1.643	8	117.7529	1.328	10	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	115.5373	0.370	4	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,2|C<3>,5|H<1>}	116.1100	0.000	1	115.7435	0.269	2	115.7990	0.144	3	115.5373	0.370	4	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	115.3770	0.000	1	115.7435	0.269	2	115.7990	0.144	3	115.5373	0.370	4	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	115.9100	0.000	1	115.9100	0.000	1	115.7990	0.144	3	115.5373	0.370	4	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,3|C<3>,3|C<4>}	116.4980	3.904	3	116.4980	15.239	3	116.4980	15.239	3	116.4980	15.239	3	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,3|C<3>,3|H<1>}	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	643	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:S-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	117.1137	5.836	38	116.8871	7.684	39
856	474	727	6:SP3_SP2_SP3	N[6]	C[5,6]	C[5a,6]	3:4:4:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S){2|C<4>,3|C<3>,3|H<1>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1
856	474	762	0:SP2_SP2_SP3	N[6,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O){3|H<1>,4|C<4>}	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6,6]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6]-3:C[5]-4:C[6]-3:	N[6]-3:C[5]-4:O[5]-2:H-1:	N[6]-3:C[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[6]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	117.5175	2.489	2	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[6]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	117.5175	2.489	2	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	3:4:3:	3:4:2:1:	3:2:1:	C[6,6]-3:C[5]-4:C[6]-3:	N[6]-3:C[5]-4:O[5]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	122.7420	0.000	1	122.7420	0.000	1	122.7420	0.000	1	122.7420	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	3:4:4:	4:4:3:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:2:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:2:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:O[5]-2:N[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:O[5]-2:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	121.4650	0.000	1	121.4650	0.000	1	121.8085	0.236	2	120.3997	6.072	3	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:O[5]-2:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	122.1520	0.000	1	122.1520	0.000	1	121.8085	0.236	2	120.3997	6.072	3	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:O[5]-2:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.5820	0.000	1	117.5820	0.000	1	117.5820	0.000	1	120.3997	6.072	3	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.9090	0.000	1	118.9090	0.000	1	117.6668	3.747	5	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.6850	0.000	1	117.3563	4.353	4	117.6668	3.747	5	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.9230	0.000	1	117.3563	4.353	4	117.6668	3.747	5	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.2990	0.000	1	117.3563	4.353	4	117.6668	3.747	5	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.5180	0.000	1	117.3563	4.353	4	117.6668	3.747	5	118.2500	5.038	6	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	118.2490	0.000	1	118.2490	0.000	1	118.2490	0.000	1	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	117.5340	0.000	1	117.5340	0.000	1	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	119.6710	0.000	1	121.2925	5.259	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	122.9140	0.000	1	121.2925	5.259	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	119.5060	0.000	1	119.5060	0.000	1	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	122.3520	0.000	1	123.0565	0.993	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	123.7610	0.000	1	123.0565	0.993	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	120.8450	0.000	1	120.8450	0.000	1	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	121.4560	0.000	1	122.8157	0.872	6	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	123.4140	0.054	4	122.8157	0.872	6	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	121.7820	0.000	1	122.8157	0.872	6	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	118.3700	0.000	1	118.3700	0.000	1	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	122.5541	0.700	25	122.5541	0.490	25	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.8165	0.006	2	116.8165	0.000	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1450	0.023	2	121.1450	0.001	2	121.8982	3.159	43	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.1820	0.000	1	116.6685	4.581	2	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.1550	0.000	1	116.6685	4.581	2	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.6250	0.000	1	117.6250	0.000	1	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.6330	0.035	4	115.6330	0.001	4	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	116.4580	0.000	1	116.4580	0.000	1	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5740	0.000	1	119.5740	0.000	1	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	116.0506	0.635	25	116.0506	0.404	25	116.1998	0.910	34	119.3668	10.007	79	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){2|C<3>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.8985	0.941	2	118.8985	0.886	2	118.8985	0.886	2	118.8985	0.886	2	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[5]-4:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	116.8911	1.489	7	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.9300	0.000	1	115.9300	0.000	1	115.9340	0.504	3	116.8911	1.489	7	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	115.9360	1.004	2	115.9360	1.008	2	115.9340	0.504	3	116.8911	1.489	7	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.3840	0.000	1	117.3840	0.000	1	117.3730	1.224	3	116.8911	1.489	7	119.1490	8.902	105	119.0856	9.018	108
856	474	762	0:SP2_SP2_SP3	N[6]	C[5]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.3675	1.565	2	117.3675	2.449	2	117.3730	1.224	3	116.8911	1.489	7	119.1490	8.902	105	119.0856	9.018	108
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:3:3:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:C[3x6]-4:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	116.1800	0.000	1	116.1800	0.000	1	116.1800	0.000	1	116.1800	0.000	1	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[4x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O){4|H<1>,5|C<4>}	114.1720	0.000	2	114.1720	0.000	2	114.1720	0.000	2	114.1720	0.000	2	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	113.7310	0.000	1	113.6750	0.006	2	113.8887	0.140	3	113.8887	0.140	3	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	113.6190	0.000	1	113.6750	0.006	2	113.8887	0.140	3	113.8887	0.140	3	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	114.3160	0.000	1	114.3160	0.000	1	113.8887	0.140	3	113.8887	0.140	3	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){3|H<1>,6|C<4>}	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	115.3652	3.430	10	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:2:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	N[6,6]-3:C[5,6]-4:O-1:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	124.3690	0.000	1	124.3690	0.000	1	124.3690	0.000	1	124.3690	0.000	1	124.2402	2.313	6	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	N[6,6]-3:C[5,6]-4:O-1:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	124.2402	2.313	6	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:3:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O){1|N<3>,2|C<4>,3|C<3>}	124.3750	0.000	1	124.3750	0.000	1	124.3750	0.000	1	124.3750	0.000	1	124.2402	2.313	6	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	124.7330	0.392	2	124.7330	0.153	2	124.7330	0.153	2	124.7330	0.153	2	124.2402	2.313	6	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	124.2402	2.313	6	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6,6]	C[5,6]	C[6,6]	4:3:4:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	125.4340	0.000	1	125.4340	0.000	1	125.4340	0.000	1	125.4340	0.000	1	125.4340	0.000	1	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,3x6]	C[6]	4:3:4:	3:3:4:3:	3:3:1:	C[5,3x6]-4:C[6]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O)	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C){10|C<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O){1|C<4>,1|H<1>,4|C<3>}	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,5,6]	C[6]	4:3:4:	4:4:4:3:	4:3:1:	C[5,5,6]-4:C[6]-3:C-4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5,6,6]-4:N[6]-3:O-1:	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O)	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	126.1790	0.000	1	126.1790	0.000	1	126.1790	0.000	1	126.1790	0.000	1	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	128.3900	0.000	1	128.3900	0.000	1	128.3900	0.000	1	128.4365	0.004	2	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	128.4830	0.000	1	128.4830	0.000	1	128.4830	0.000	1	128.4365	0.004	2	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	126.4800	0.218	2	126.4800	0.047	2	126.4800	0.047	2	126.4800	0.047	2	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	123.7530	0.000	1	123.7530	0.000	1	123.7530	0.000	1	123.7530	0.000	1	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:4:	4:2:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	N[6]-3:C[6]-3:O-1:	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.6815	0.207	8	122.6815	0.043	8	122.6815	0.043	8	122.6815	0.043	8	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:4:	4:2:4:3:	3:4:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2400	0.000	1	122.2400	0.000	1	122.2400	0.000	1	122.2400	0.000	1	124.2305	5.217	15	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	126.7070	0.000	1	126.7070	0.000	1	126.7070	0.000	1	124.0960	13.635	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	124.0960	13.635	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	129.0740	0.000	1	129.0740	0.000	1	129.0740	0.000	1	129.0740	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|C<4>}	126.0225	0.991	2	126.0225	0.981	2	126.0225	0.981	2	126.0225	0.981	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.5410	0.180	2	122.5410	0.032	2	122.5410	0.032	2	122.5410	0.032	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	123.7663	0.172	3	123.7663	0.030	3	123.7663	0.030	3	123.7663	0.030	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	123.5610	0.000	2	123.7375	0.043	4	123.7375	0.043	4	123.7375	0.043	4	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.9140	0.076	2	123.7375	0.043	4	123.7375	0.043	4	123.7375	0.043	4	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.2360	0.870	2	126.2360	0.756	2	126.2360	0.756	2	126.2360	0.756	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:2:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:3:2:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	N[5,6]-3:N[6]-3:S-1:	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S)	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H){1|C<4>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S){3|C<4>,4|C<3>}	124.2230	0.000	1	124.2230	0.000	1	124.2230	0.000	1	124.2230	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(O[6]C[6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[6](N[6]C[5,6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	126.1010	1.199	2	126.1010	1.438	2	126.1010	1.438	2	126.1010	1.438	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	127.0870	0.000	1	127.0870	0.000	1	127.0870	0.000	1	125.1076	2.598	7	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	124.0110	1.047	4	124.0110	1.097	4	124.0110	1.097	4	125.1076	2.598	7	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	126.8920	0.000	1	126.8920	0.000	1	126.3110	0.675	2	125.1076	2.598	7	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	125.7300	0.000	1	125.7300	0.000	1	126.3110	0.675	2	125.1076	2.598	7	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	128.0640	0.000	1	128.0640	0.000	1	128.0640	0.000	1	128.0640	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	127.4473	0.564	3	127.4473	0.318	3	126.9285	1.289	4	126.9285	1.289	4	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	125.3720	0.000	1	125.3720	0.000	1	126.9285	1.289	4	126.9285	1.289	4	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	127.3247	1.224	4	127.3247	1.499	4	127.3247	1.499	4	127.3247	1.499	4	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H){1|Rh<4>,1|H<1>,6|C<4>}	124.3430	0.086	2	124.3430	0.007	2	124.3430	0.007	2	124.3430	0.007	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:2:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	121.1085	0.317	2	121.1085	0.101	2	121.1085	0.101	2	121.1085	0.101	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	121.1250	0.000	1	121.1453	0.019	3	121.1453	0.019	3	121.1986	0.120	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	121.0170	0.000	1	121.1453	0.019	3	121.1453	0.019	3	121.1986	0.120	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	121.2940	0.000	1	121.1453	0.019	3	121.1453	0.019	3	121.1986	0.120	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	120.8210	0.000	1	121.2785	0.419	2	121.2785	0.419	2	121.1986	0.120	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	121.7360	0.000	1	121.2785	0.419	2	121.2785	0.419	2	121.1986	0.120	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	118.7807	4.034	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	117.6235	0.182	2	117.6235	0.033	2	117.6235	0.033	2	118.7807	4.034	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	119.7460	0.562	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	119.7460	0.562	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:4:2:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	122.4090	0.679	2	122.4090	0.461	2	122.4090	0.461	2	122.4090	0.461	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	122.4020	4.146	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	N[6]-3:C[6]-3:O-1:	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.1420	2.237	2	123.1420	5.005	2	123.1420	5.005	2	122.4020	4.146	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:N[6]-3:B-4:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](N[6]C[5,6]C[6a])2(BF3)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[5,6]C[6a])2(BF3){2|H<1>,3|C<4>,4|C<3>}	123.9315	3.095	2	123.9315	9.579	2	123.9315	9.579	2	123.9315	9.579	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC){1|H<1>,2|C<3>,2|C<4>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:2:2:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|H<1>,2|O<2>,3|C<3>}	122.5180	0.000	1	122.5180	0.000	1	122.5180	0.000	1	122.5180	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H)	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H){2|C<3>,2|O<2>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:2:	3:2:1:	C[5,6]-4:C[6]-3:C-4:	C[5a,6]-3:N[5]-3:N[6]-3:S[5]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5])	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H)	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5]){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H){1|C<3>,1|S<2>,2|N<3>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	120.0040	2.660	2	120.0040	7.076	2	120.1773	3.628	3	120.1773	3.628	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	120.5240	0.000	1	120.5240	0.000	1	120.1773	3.628	3	120.1773	3.628	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	127.2300	0.000	1	127.2300	0.000	1	127.2300	0.000	1	127.2300	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:4:3:	3:2:1:	C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	N[6]-3:N[6]-2:H-1:	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H){1|C<4>,3|C<3>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	121.5230	2.578	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	120.6730	0.000	1	120.5970	0.012	2	120.5970	0.012	2	121.5230	2.578	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	120.5210	0.000	1	120.5970	0.012	2	120.5970	0.012	2	121.5230	2.578	3	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,2|C<3>}	122.2305	0.033	2	122.2305	0.001	2	122.2305	0.001	2	121.5162	2.182	11	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	121.5162	2.182	11	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	121.5162	2.182	11	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.9956	1.653	7	120.9956	2.733	7	120.9956	2.733	7	121.5162	2.182	11	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS){1|C<3>,1|C<4>,3|H<1>}	122.1620	0.000	1	122.1620	0.000	1	122.1620	0.000	1	122.1620	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	123.1160	0.000	1	123.1160	0.000	1	123.1160	0.000	1	123.1160	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	118.0085	0.200	2	118.0085	0.040	2	118.1474	0.723	5	118.1474	0.723	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	118.2400	1.180	3	118.2400	1.393	3	118.1474	0.723	5	118.1474	0.723	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	B[6,6]-3:N[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](B[6,6]C[6,6]2)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](B[6,6]C[6,6]2)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	120.6975	0.227	2	120.6975	0.052	2	120.6975	0.052	2	120.6975	0.052	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:B-4:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](N[6]C[5,6]C)2(BC[6a]2H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5,6]C)2(BC[6a]2H){1|H<1>,4|C<4>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O){2|C<4>,2|H<1>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	B[6,6]-4:N[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[6,6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.8327	0.279	6	118.8327	0.078	6	118.7237	0.188	8	118.7237	0.188	8	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[6,6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.3970	0.800	2	118.3970	0.641	2	118.7237	0.188	8	118.7237	0.188	8	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	118.8144	0.588	5	118.8144	0.345	5	118.8144	0.345	5	118.8144	0.345	5	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:4:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	B[6,6]-3:N[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[6](B[6,6]C[6,6]2)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	C[6](B[6,6]C[6,6]2)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	120.0720	0.386	2	120.0720	0.149	2	120.0720	0.149	2	120.0720	0.149	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:4:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:B-4:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[6](N[6]C[5,6]C)2(BC[6a]2H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[6](N[6]C[5,6]C)2(BC[6a]2H){1|H<1>,4|C<4>}	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	B[6,6]-4:N[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	120.9870	0.000	1	120.9870	0.000	1	120.9870	0.000	1	120.9870	0.000	1	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:P[6,6]-4:C[6]-3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H)	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H){2|O<2>,3|H<1>,8|C<4>}	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H){1|Rh<4>,1|H<1>,6|C<4>}	113.9325	0.165	2	113.9325	0.027	2	113.9325	0.027	2	113.9325	0.027	2	122.0093	10.624	121	121.9066	12.937	155
856	474	762	6:SP3_SP2_SP3	N[6,6]	C[5,3x6]	C[6]	4:4:3:	3:4:3:3:	3:4:1:	C[5,3x6]-4:C[6]-4:C[6]-3:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6,6]	C[5,6,6]	C[6,6]	4:3:4:	3:4:2:2:	3:3:2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:2:	3:4:4:3:	4:3:1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.7285	0.621	4	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:3:	3:3:4:2:	3:4:1:	C[5,6,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	121.7285	0.621	4	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:4:	4:3:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O)	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	122.2590	0.519	2	122.2590	0.269	2	122.2590	0.269	2	122.2590	0.269	2	121.7285	0.621	4	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:2:	2:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:O-2:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:2:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	N[5a,6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	125.1870	0.000	1	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:2:	3:4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:O-2:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	121.5250	0.610	2	121.5250	0.372	2	121.5250	0.372	2	121.5250	0.372	2	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:2:	4:2:3:4:	4:3:1:	C[5,6]-4:C[6]-3:O-2:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	119.1710	0.161	2	119.1710	0.026	2	119.1710	0.026	2	119.1710	0.026	2	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9345	1.136	2	118.9345	1.291	2	118.9345	1.291	2	118.9345	1.291	2	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.6160	0.000	1	120.6160	0.000	1	120.6160	0.000	1	120.6160	0.000	1	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	120.5343	3.527	17	120.7047	3.293	23
856	474	762	6:SP3_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.4025	0.642	6	119.4025	0.413	6	119.4025	0.413	6	119.4025	0.413	6	120.5343	3.527	17	120.7047	3.293	23
856	474	790	0:SP3_SP-NON_SP3	N[6]	C[5,6]	Cl	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:Cl-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	Cl(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	Cl(N[6]C[5,6]C[6])	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1
856	474	813	6:SP3_SP2_SP3	N[6]	C[5,6]	N[5a,6]	3:4:1:	3:4:4:4:	3:3:2:	N[5a,6]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	111.4890	1.193	3	111.4890	1.193	3
856	474	813	6:SP3_SP2_SP3	N[6]	C[5,6]	N[5a,6]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>}	111.0445	1.095	2	111.0445	1.200	2	111.0445	1.200	2	111.0445	1.200	2	111.4890	1.193	3	111.4890	1.193	3
856	474	856	6:SP3_SP2_SP3	N[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1
856	474	856	6:SP3_SP3_SP3	N[6]	C[5,6]	N[6,6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,6]-4:N[6,6]-3:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2215	0.524	4	120.2215	0.275	4	120.2215	0.275	4	120.2215	0.275	4	120.2215	0.275	4	120.2215	0.275	4
856	474	863	0:SP2_SP2_SP3	N[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	O(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	O(N[6]C[5,6]C[6])	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1
856	474	893	0:SP2_SP3_SP3	N[6]	C[5,6]	O	4:3:2:	3:3:3:3:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6]-3:C-4:	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	O(N[6]C[5,6]C[6])(CC[6a]HH)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(N[6]C[5,6]C[6])(CC[6a]HH)	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1
856	474	893	0:SP3_SP3_SP3	N[6,6]	C[5,6,6]	O	4:4:2:	4:3:4:4:	3:1:	C[5,6,6]-4:C[6,6]-4:O-2:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	N[6,6]-3:H-1:	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	O(N[6,6]C[5,6,6]C[6,6])(H)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	O(N[6,6]C[5,6,6]C[6,6])(H)	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6,6]	O	4:3:2:	3:4:4:3:	3:4:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	O(N[6]C[5,6,6]C[6])(CH3)	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(N[6]C[5,6,6]C[6])(CH3)	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6]	O	4:3:2:	2:4:3:4:	3:4:	C[5,6]-4:C[6]-3:O-2:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	O(N[6]C[5,6]C[6])(CCHH)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(N[6]C[5,6]C[6])(CCHH)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	112.2763	10.019	6	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6]	O	4:3:2:	3:4:3:4:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	O(N[6]C[5,6]C[6])(CH3)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(N[6]C[5,6]C[6])(CH3)	112.7105	0.045	2	112.7105	0.002	2	112.7105	0.002	2	112.2433	0.656	3	112.2763	10.019	6	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6]	O	4:3:2:	3:4:3:4:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	N[6]-3:C-4:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	O(N[6]C[5,6]C[6])(CH3)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(N[6]C[5,6]C[6])(CH3)	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	112.2433	0.656	3	112.2763	10.019	6	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6]	O	4:3:2:	4:2:3:4:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	N[6]-3:C-4:	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	O(N[6]C[5,6]C[6])(CCHH)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(N[6]C[5,6]C[6])(CCHH)	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	112.2763	10.019	6	112.2981	7.805	8
856	474	893	0:SP3_SP3_SP3	N[6]	C[5,6]	O	4:4:2:	4:4:4:3:	3:1:	C[5,6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6]-3:H-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	O(N[6]C[5,6]C[6])(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	O(N[6]C[5,6]C[6])(H)	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	112.2763	10.019	6	112.2981	7.805	8
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:1:	3:4:3:3:	3:3:	C[5,6]-4:N[6]-2:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	N[6]-3:C[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	N[6](N[6]C[5,6]H)(C[6]C[6]O)	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	N[6](N[6]C[5,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:1:	4:3:3:1:	3:3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:1:	4:3:3:2:	3:3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	N[6](C[6]C[6a]C[6])(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	117.5595	1.456	2	117.5595	2.120	2	117.5595	2.120	2	117.5595	2.120	2	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:3:	4:4:3:1:	3:3:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	125.0010	0.000	1	125.0010	0.000	1	125.0010	0.000	1	125.0010	0.000	1	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:3:2:	3:3:4:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a]){3|C<4>,3|H<1>,4|C<3>}	113.7220	0.000	1	113.7220	0.000	1	120.4737	34.190	3	120.4737	34.190	3	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:3:2:	3:3:4:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[5,6]C[6a]){1|H<1>,2|C<4>,6|C<3>}	123.8495	0.053	2	123.8495	0.003	2	120.4737	34.190	3	120.4737	34.190	3	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:3:2:	4:3:4:1:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a]){1|H<1>,4|C<3>,4|C<4>}	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:4:2:	4:3:3:4:	3:2:	C[5,6]-4:C-4:N[6]-2:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	N[6](N[6]C[5,6]C)(N[6]C[5,6])	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](N[6]C[5,6]C)(N[6]C[5,6]){1|C<3>,4|C<4>}	121.2450	0.502	2	121.2450	0.252	2	121.2450	0.252	2	121.2450	0.252	2	119.0356	24.776	11	119.0356	24.776	11
856	474	914	6:SP3_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:1:	4:3:3:1:	3:3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	115.9513	4.047	3	115.9513	4.047	3
856	474	914	6:SP3_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:3:	4:3:3:1:	3:3:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	115.9513	4.047	3	115.9513	4.047	3
856	474	914	6:SP3_SP2_SP3	N[6]	C[5,6]	N[6]	4:3:2:	3:3:4:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a]){3|C<4>,3|H<1>,4|C<3>}	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	115.9513	4.047	3	115.9513	4.047	3
856	474	930	0:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	119.3260	0.000	1	119.3260	0.000	1	119.6940	0.271	2	119.6940	0.271	2	119.6940	0.271	2	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6,6]	C[5,3x6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:O-2:O-1:	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	120.0620	0.000	1	120.0620	0.000	1	119.6940	0.271	2	119.6940	0.271	2	119.6940	0.271	2	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(OC)(O)	120.4767	3.014	3	120.4767	9.085	3	120.7386	13.368	7	120.7386	13.368	7	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(OC)(O)	114.1410	0.000	1	114.1410	0.000	1	120.7386	13.368	7	120.7386	13.368	7	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(OC)(O)	123.0820	0.219	2	123.0820	0.048	2	120.7386	13.368	7	120.7386	13.368	7	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(OC)(O)	123.4350	0.000	1	123.4350	0.000	1	120.7386	13.368	7	120.7386	13.368	7	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(CH3)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(CH3)(O)	122.3110	0.000	1	121.9440	0.269	2	121.9440	0.269	2	121.9440	0.269	2	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(CH3)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(CH3)(O)	121.5770	0.000	1	121.9440	0.269	2	121.9440	0.269	2	121.9440	0.269	2	121.0064	10.342	9	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6,6]	C	4:4:3:	3:4:3:3:	3:4:1:	C[5,6,6]-4:C[6]-4:C-3:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C(N[6]C[5,6,6]C[6])(CH3)(O)	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(N[6]C[5,6,6]C[6])(CH3)(O)	117.4140	0.000	2	117.4140	0.000	2	117.4140	0.000	2	117.4140	0.000	2	117.4140	0.000	2	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	3:4:3:	3:3:3:3:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C(N[6]C[6,6a]C[5,6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[5,6])(H)(O)	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	3:4:3:	4:3:3:1:	3:2:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	C(N[6]C[6,6a]C[5,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[5,6])(OC)(O)	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:2:3:	4:4:3:1:	3:3:1:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:3:3:4:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	123.6750	0.000	1	123.6750	0.000	1	123.6750	0.000	1	123.6750	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:4:3:3:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:4:3:3:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CH3)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(CH3)(O)	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(CCl2H)(O)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	C(N[6]C[5,6]C[6])(CCl2H)(O)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C(N[6]C[5,6]2)(H)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(N[6]C[5,6]2)(H)(O)	121.5978	0.490	4	121.7300	0.201	8	121.7300	0.201	8	121.7553	0.182	9	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C(N[6]C[5,6]2)(H)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C(N[6]C[5,6]2)(H)(O)	121.8622	0.428	4	121.7300	0.201	8	121.7300	0.201	8	121.7553	0.182	9	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:H-1:O-1:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(H)(O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(H)(O)	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	121.7553	0.182	9	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:N-2:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(CNO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C(N[6]C[5,6]2)(NN)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CNO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(N[6]C[5,6]2)(NN)(O)	121.5422	3.874	8	121.5422	15.010	8	121.5422	15.010	8	121.5422	15.010	8	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:4:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	119.1065	6.908	2	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:3:3:4:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	119.1065	6.908	2	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:2:3:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	121.3280	2.051	2	121.3280	4.205	2	121.3280	4.205	2	121.3280	4.205	2	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:2:3:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CH3)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO){4|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C(N[6]C[5,6]C[6])(CH3)(O)	122.7360	0.000	1	122.7360	0.000	1	122.7360	0.000	1	122.7360	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	124.9960	0.000	1	124.9960	0.000	1	124.9960	0.000	1	121.9903	9.397	4	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	122.6160	0.499	2	122.6160	0.249	2	120.9883	8.073	3	121.9903	9.397	4	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	117.7330	0.000	1	117.7330	0.000	1	120.9883	8.073	3	121.9903	9.397	4	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:3:3:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CH3)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[5,6]C[6])(CH3)(O)	117.3620	0.000	1	117.3620	0.000	1	117.3620	0.000	1	117.3620	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP2_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:4:3:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CF3)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO){2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	C(N[6]C[5,6]C[6])(CF3)(O)	118.2890	0.000	1	118.2890	0.000	1	118.2890	0.000	1	118.2890	0.000	1	120.4983	8.062	41	120.4390	8.074	54
856	474	930	0:SP3_SP2_SP3	N[6]	C[5,5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(N[6]C[5,5,6]C[6])(OC)(O)	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	118.2122	2.854	4
856	474	930	0:SP3_SP2_SP3	N[6]	C[5,6]	C	4:2:3:	4:3:3:1:	3:3:1:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	117.8890	0.000	1	117.8890	0.000	1	117.8890	0.000	1	117.8890	0.000	1	117.7677	3.095	3	118.2122	2.854	4
856	474	930	0:SP3_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[6]-4:C-3:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C(N[6]C[5,6]C[6])(CCl2H)(O)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	C(N[6]C[5,6]C[6])(CCl2H)(O)	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	117.7677	3.095	3	118.2122	2.854	4
856	474	930	0:SP3_SP2_SP3	N[6]	C[5,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	117.7677	3.095	3	118.2122	2.854	4
856	474	951	0:SP2_SP-NON_SP3	N[6,6]	C[5,3x6]	H	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(N[6,6]C[5,3x6]C[6,6])	121.8890	0.000	1	121.8890	0.000	1	121.7335	0.048	2	121.7335	0.048	2	121.8938	0.718	6	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6,6]	C[5,3x6]	H	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	121.5780	0.000	1	121.5780	0.000	1	121.7335	0.048	2	121.7335	0.048	2	121.8938	0.718	6	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:2:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	N[6,6]-3:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	H(N[6,6]C[5,3x6]C[6,6])	121.3260	0.000	1	121.3260	0.000	1	121.3260	0.000	1	121.3260	0.000	1	121.8938	0.718	6	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	N[6,6]-3:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	H(N[6,6]C[5,3x6]C[6,6])	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	121.8938	0.718	6	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6,6]	C[5,3x6]	H	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	122.8860	0.000	2	122.8860	0.000	2	122.8860	0.000	2	122.8860	0.000	2	121.8938	0.718	6	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,5,6,6]	H	4:3:1:	3:4:4:3:	3:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	N[6]-3:	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	H(N[6]C[5,5,6,6]C[6,6a])	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	H(N[6]C[5,5,6,6]C[6,6a])	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,5,6]	H	4:3:1:	4:3:3:2:	3:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	N[6]-3:	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	H(N[6]C[5,5,6]C[6,6a])	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	H(N[6]C[5,5,6]C[6,6a])	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(N[6]C[5,6,6]C[6])	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[5,6,6]C[6])	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	113.7685	3.053	2	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	H(N[6]C[5,6,6]C[6])	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	113.7685	3.053	2	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[5,6,6]C[6,6a])	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(N[6]C[5,6,6]C[6,6a])	119.2620	0.198	2	119.2620	0.039	2	119.2620	0.039	2	118.0228	2.067	4	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(N[6]C[5,6,6]C[6])	116.7835	0.132	2	116.7835	0.017	2	116.7835	0.017	2	118.0228	2.067	4	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	H(N[6]C[5,6,6]C[6])	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	116.8299	5.046	8	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	122.1380	0.000	1	122.1380	0.000	1	120.4925	5.415	2	120.4925	5.415	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(N[6]C[6,6a]C[5,6])	118.8470	0.000	1	118.8470	0.000	1	120.4925	5.415	2	120.4925	5.415	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	122.9900	0.000	1	122.9900	0.000	1	122.9900	0.000	1	122.9900	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	119.7150	0.550	2	119.7150	0.303	2	119.7150	0.303	2	119.7150	0.303	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:3:4:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	H(N[6]C[6,6a]C[5,6])	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	H(N[6]C[6,6a]C[5,6])	120.4665	0.722	2	120.4665	0.521	2	117.8017	3.873	8	117.8017	3.873	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	117.5730	0.000	1	116.8842	1.907	5	117.8017	3.873	8	117.8017	3.873	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	116.7120	1.531	4	116.8842	1.907	5	117.8017	3.873	8	117.8017	3.873	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6,6a]C[5,6])	117.0600	0.000	1	117.0600	0.000	1	117.8017	3.873	8	117.8017	3.873	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:4:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	H(N[6]C[6,6a]C[5,6])	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:2:1:	3:4:3:3:	3:	C[5,6]-4:N[6]-2:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	H(N[6]C[5,6]N[6])	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	H(N[6]C[5,6]N[6])	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:2:1:	4:3:3:1:	3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[5,6]N[6])	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:2:1:	4:3:3:2:	3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	H(N[6]C[5,6]N[6])	121.1940	0.700	2	121.1940	0.490	2	121.1940	0.490	2	121.1940	0.490	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	120.0750	0.000	1	120.6630	0.691	2	120.6630	0.691	2	120.6630	0.691	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	121.2510	0.000	1	120.6630	0.691	2	120.6630	0.691	2	120.6630	0.691	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	H(N[6]C[6,6a]C[5,6])	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	117.2956	8.545	5	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	H(N[6]C[6,6a]C[5,6])	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	117.2956	8.545	5	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(N[6]C[5,6]C[6])	115.4500	0.000	1	115.4500	0.000	1	115.4500	0.000	1	117.2956	8.545	5	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	115.7520	0.000	1	115.7520	0.000	1	115.7520	0.000	1	117.2956	8.545	5	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	H(N[6]C[5,6]C[6])	114.3810	0.000	1	114.3810	0.000	1	114.3810	0.000	1	117.2956	8.545	5	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	118.6970	0.000	1	118.4850	0.090	2	118.4850	0.090	2	118.4850	0.090	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	118.2730	0.000	1	118.4850	0.090	2	118.4850	0.090	2	118.4850	0.090	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	121.1665	6.281	2	121.1665	39.454	2	121.1665	39.454	2	121.1665	39.454	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[5,6]C[6])	119.4100	1.196	2	119.4100	1.431	2	119.4100	1.431	2	118.9840	0.746	4	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[5,6]C[6])	118.5580	0.286	2	118.5580	0.082	2	118.5580	0.082	2	118.9840	0.746	4	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(N[6]C[5,6]C[6])	117.8430	0.000	2	117.7308	0.184	4	117.7308	0.184	4	117.7308	0.184	4	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:4:3:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[5,6]C[6])	117.6185	0.709	2	117.7308	0.184	4	117.7308	0.184	4	117.7308	0.184	4	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[5,6]C[6])	116.9075	0.387	2	116.9075	0.150	2	116.9075	0.150	2	116.9027	0.075	3	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[6]C[5,6]C[6])	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	116.9027	0.075	3	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:2:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(N[6]C[5,6]C[6])	117.6920	0.000	1	117.6920	0.000	1	117.6920	0.000	1	117.6920	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	122.5035	1.464	2	122.5035	2.145	2	122.5035	2.145	2	122.5035	2.145	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H){1|C<4>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	H(N[6]C[5,6]C[6])	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[5,6]C[6])	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[5,6]C[6])	115.5337	1.066	4	115.5337	1.136	4	115.5337	1.136	4	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	H(N[6]C[5,6]C[6])	116.5550	0.000	1	116.5550	0.000	1	116.7102	0.315	5	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[5,6]C[6])	117.1270	0.000	1	117.1270	0.000	1	116.7102	0.315	5	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	H(N[6]C[5,6]C[6])	115.9950	0.000	1	115.9950	0.000	1	116.7102	0.315	5	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	H(N[6]C[5,6]C[6])	116.9370	0.669	2	116.9370	0.447	2	116.7102	0.315	5	116.1081	0.923	10	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[6]C[5,6]C[6])	116.3090	1.955	4	116.3090	3.822	4	115.5620	3.964	8	115.5620	3.964	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[6]C[5,6]C[6])	114.7953	2.431	3	114.7953	5.908	3	115.5620	3.964	8	115.5620	3.964	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[5,6]C[6])	114.8740	0.000	1	114.8740	0.000	1	115.5620	3.964	8	115.5620	3.964	8	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP2_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	H(N[6]C[5,6]C[6])	117.8340	0.112	2	117.8340	0.012	2	117.8340	0.012	2	117.8340	0.012	2	117.9110	6.858	69	118.1634	7.449	85
856	474	951	0:SP3_SP-NON_SP3	N[6,6]	C[5,6,6]	H	4:4:1:	4:3:3:1:	3:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	H(N[6,6]C[5,6,6]C[6,6])	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(N[6,6]C[5,6,6]C[6,6])	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	107.3415	1.875	4	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6,6]	C[5,6,6]	H	4:4:1:	4:3:4:2:	3:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	N[6,6]-3:	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	H(N[6,6]C[5,6,6]C[6,6])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	H(N[6,6]C[5,6,6]C[6,6])	106.7753	0.943	3	106.7753	0.890	3	106.7753	0.890	3	106.7753	0.890	3	107.3415	1.875	4	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,5,3x6]	H	4:4:1:	4:3:2:3:	3:	C[5,5,3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	N[6]-3:	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	H(N[6]C[5,5,3x6]C[6])	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(N[6]C[5,5,3x6]C[6])	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,5,6]	H	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	H(N[6]C[5,5,6]C[6])	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	H(N[6]C[5,5,6]C[6])	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6,6]	H	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(N[6]C[5,6,6]C[6])	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	106.6345	0.563	2	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6,6]	H	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(N[6]C[5,6,6]C[6])	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	106.6345	0.563	2	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	H(N[6]C[6,6a]C[5,6])	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[5,6])	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	113.3725	1.815	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	113.3725	1.815	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	118.5200	0.000	2	118.5200	0.000	2	118.5200	0.000	2	118.5200	0.000	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	3:4:4:4:	3:	N[5a,6]-3:C[5,6]-4:H-1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	H(N[6]N[5a,6]C[5,6])	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	H(N[6]N[5a,6]C[5,6])	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	112.1195	0.334	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[5,6])	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	112.1195	0.334	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	112.2070	0.000	1	115.5450	7.876	5	115.5450	7.876	5	115.5450	7.876	5	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	116.3795	2.421	4	115.5450	7.876	5	115.5450	7.876	5	115.5450	7.876	5	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	H(N[6]C[6,6a]C[5,6])	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	117.6320	2.780	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	118.8110	0.000	1	118.8110	0.000	1	118.8110	0.000	1	117.6320	2.780	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:4:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	H(N[6]C[6,6a]C[5,6])	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	3:4:1:	4:4:3:4:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	113.8670	0.000	1	113.8670	0.000	1	113.8670	0.000	1	113.8670	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:2:1:	4:3:3:1:	3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[5,6]N[6])	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	H(N[6]C[5,6]N[6])	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	114.1037	1.006	3	114.1037	1.011	3	114.1037	1.011	3	114.1037	1.011	3	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6,6a]C[5,6])	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:3:1:	3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	H(N[6]C[5,6]N[5,6])	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[5,6]N[5,6])	109.7165	1.454	4	109.7165	2.115	4	109.7165	2.115	4	109.7165	2.115	4	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	H(N[6]C[5,6]N[5,6])	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(N[6]C[5,6]N[5,6])	114.4980	2.220	2	114.4980	4.930	2	114.4980	4.930	2	106.2780	92.316	4	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[5a,6]-3:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	H(N[6]N[5a,6]C[5,6])	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(N[6]N[5a,6]C[5,6])	98.0580	1.320	2	98.0580	1.743	2	98.0580	1.743	2	106.2780	92.316	4	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	113.5500	65.300	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	H(N[6]C[5,6]C[6])	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	113.5500	65.300	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	H(N[6]C[5,6]C[6])	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[5,6]C[6])	108.5480	1.836	2	108.5480	3.370	2	108.5480	3.370	2	108.5480	3.370	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:3:4:1:	3:	C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	H(N[6]C[5,6]C[6,6])	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	H(N[6]C[5,6]C[6,6])	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:4:2:3:	3:	C[5,6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	H(N[6]C[5,6]C[6])	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(N[6]C[5,6]C[6])	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	114.5300	6.567	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:4:3:1:	3:	C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	H(N[6]C[5,6]S[6])	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	H(N[6]C[5,6]S[6])	116.3420	0.000	1	116.3420	0.000	1	116.3420	0.000	1	114.5300	6.567	2	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(N[6]C[5,6]C[6])	108.2130	0.000	1	108.2130	0.000	1	108.2130	0.000	1	108.2130	0.000	1	111.7996	25.865	45	111.1781	24.386	53
856	474	951	0:SP3_SP-NON_SP3	N[6]	C[5,6]	H	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	H(N[6]C[5,6]C[6])	102.2745	0.514	2	102.2745	0.264	2	102.2745	0.264	2	102.2745	0.264	2	111.7996	25.865	45	111.1781	24.386	53
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6,6]	S	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	120.1360	0.000	1	119.4300	0.997	2	119.4300	0.997	2	119.4300	0.997	2	119.4300	0.997	2	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6,6]	S	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	118.7240	0.000	1	119.4300	0.997	2	119.4300	0.997	2	119.4300	0.997	2	119.4300	0.997	2	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:2:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	120.5680	0.000	1	120.5680	0.000	1	119.3525	2.955	2	119.3525	2.955	2	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.1370	0.000	1	118.1370	0.000	1	119.3525	2.955	2	119.3525	2.955	2	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	112.1670	0.000	1	112.1670	0.000	1	112.2150	0.005	2	112.2150	0.005	2	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	112.2630	0.000	1	112.2630	0.000	1	112.2150	0.005	2	112.2150	0.005	2	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:4:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	3:3:2:2:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	126.4310	0.000	1	126.4310	0.000	1	126.4310	0.000	1	126.4310	0.000	1	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP2_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	117.1503	0.619	7	117.1503	0.383	7	117.1503	0.383	7	117.1503	0.383	7	117.4521	11.288	15	117.6848	10.371	17
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6,6]	S	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	117.3837	3.529	3	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6,6]	S	4:4:4:	4:2:3:1:	3:3:1:1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	117.3837	3.529	3	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	117.3837	3.529	3	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	120.1180	0.000	1	120.1180	0.000	1	120.1180	0.000	1	118.9375	0.770	4	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.9440	0.000	1	118.8070	0.038	2	118.5440	0.226	3	118.9375	0.770	4	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.6700	0.000	1	118.8070	0.038	2	118.5440	0.226	3	118.9375	0.770	4	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.0180	0.000	1	118.0180	0.000	1	118.5440	0.226	3	118.9375	0.770	4	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[5a,6]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	S(N[6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	S(N[6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O)2	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	114.4955	2.707	2	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	114.4955	2.707	2	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6,6a]-3:S-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	117.5780	1.140	6	117.5780	1.300	6	117.5780	1.300	6	119.1304	4.947	10	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:N[6,6]-3:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	S(N[6]C[5,6]N[6,6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	S(N[6]C[5,6]N[6,6])(C[6a]C[6a]2)(O)2	121.4590	0.790	4	121.4590	0.624	4	121.4590	0.624	4	119.1304	4.947	10	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	115.3785	0.149	2	115.3785	0.022	2	115.3785	0.022	2	116.8007	6.079	3	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	116.8007	6.079	3	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	117.4190	0.000	2	117.4190	0.000	2	118.4172	1.009	8	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	118.0440	0.000	2	118.0440	0.000	2	118.4172	1.009	8	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	120.1240	0.000	1	120.1240	0.000	1	118.4172	1.009	8	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	119.0490	0.000	1	119.0490	0.000	1	118.4172	1.009	8	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	118.6195	1.183	2	118.6195	1.399	2	118.4172	1.009	8	118.3791	0.896	9	118.6556	5.170	31	118.5434	5.048	34
856	474	952	0:SP3_SP3_SP3	N[6]	C[5,6]	S	4:4:4:	4:4:4:3:	3:2:1:1:	C[5,6]-4:C[6]-4:S-4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:O-1:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	S(N[6]C[5,6]C[6])(OC)(O)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3){3|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	S(N[6]C[5,6]C[6])(OC)(O)2	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	118.6556	5.170	31	118.5434	5.048	34
856	474	956	0:SP2_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N(N[6]C[5,6]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N(N[6]C[5,6]2)(O)2	119.9945	0.467	2	120.0888	0.398	28	120.0888	0.398	28	120.0442	0.442	29	120.0442	0.442	29	120.0442	0.442	29
856	474	956	0:SP2_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N(N[6]C[5,6]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N(N[6]C[5,6]2)(O)2	120.0960	0.649	26	120.0888	0.398	28	120.0888	0.398	28	120.0442	0.442	29	120.0442	0.442	29	120.0442	0.442	29
856	474	956	0:SP2_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	N(N[6]C[5,6]C[6])(O)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,3|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N(N[6]C[5,6]C[6])(O)2	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	120.0442	0.442	29	120.0442	0.442	29	120.0442	0.442	29
856	474	956	0:SP2_SP3_SP3	N[6]	C[5,6]	N	3:4:3:	4:3:2:1:	3:4:4:	C[6,6a]-3:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:C-4:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	N(N[6]C[6,6a]C[5,6])(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	N(N[6]C[6,6a]C[5,6])(CH3)2	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1
856	474	956	0:SP3_SP2_SP3	N[6]	C[5,6]	N	4:3:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:N-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	N[6]-3:C-4:H-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	113.7250	0.233	2	113.7250	0.054	2	113.7250	0.054	2	113.7250	0.054	2	117.0564	4.822	54	117.0564	4.822	54
856	474	956	0:SP3_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:2:1:	3:1:1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]O[5]H)2(NOO)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	N(N[6]C[5,6]2)(O)2	N[6](C[5,6]C[5,6]O[5]H)2(NOO){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N(N[6]C[5,6]2)(O)2	115.6243	2.138	4	115.6243	4.571	4	115.6243	4.571	4	115.6243	4.571	4	117.0564	4.822	54	117.0564	4.822	54
856	474	956	0:SP3_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N(N[6]C[5,6]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N(N[6]C[5,6]2)(O)2	115.3565	0.603	2	117.3207	4.524	47	117.3207	4.524	47	117.3145	4.430	48	117.0564	4.822	54	117.0564	4.822	54
856	474	956	0:SP3_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N(N[6]C[5,6]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N(N[6]C[5,6]2)(O)2	117.4080	2.130	45	117.3207	4.524	47	117.3207	4.524	47	117.3145	4.430	48	117.0564	4.822	54	117.0564	4.822	54
856	474	956	0:SP3_SP2_SP3	N[6]	C[5,6]	N	4:4:3:	4:3:3:1:	3:1:1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	N(N[6]C[5,6]C[6])(O)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N(N[6]C[5,6]C[6])(O)2	117.0220	0.000	1	117.0220	0.000	1	117.0220	0.000	1	117.3145	4.430	48	117.0564	4.822	54	117.0564	4.822	54
856	474	961	6:SP3_SP3_SP3	N[6]	C[5,6]	S[6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2{1|H<1>,1|O<2>,3|C<4>}	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1
856	478	478	6:SP2_SP3_SP3	N[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[4,6,6]C[4,6,6]2H)2(CCO)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H)	N[6,6](C[4,6,6]C[4,6,6]2H)2(CCO){2|C<4>,2|N<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.7900	0.057	2	112.7900	0.003	2	112.7900	0.003	2	112.7900	0.003	2	112.7900	0.003	2	112.7900	0.003	2
856	478	478	6:SP3_SP3_SP3	N[6,6]	C[4,6,6]	C[4,6,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[4,6,6]-4:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[4,6,6]C[4,6,6]2H)2(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H)	N[6,6](C[4,6,6]C[4,6,6]2H)2(H){4|C<3>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.3777	0.277	3	112.3777	0.077	3	112.3777	0.077	3	112.3777	0.077	3	112.3692	0.052	4	112.3692	0.052	4
856	478	478	6:SP3_SP3_SP3	N[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H)	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3692	0.052	4	112.3692	0.052	4
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,5,6]	C	4:3:4:	4:4:4:3:	3:4:1:1:	C[4,5,6]-4:C[6]-3:C-4:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	N[6]-3:C-4:H-1:H-1:	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	C(N[6]C[4,5,6]C[6])(CH3)(H)2	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH){2|O<2>,3|H<1>,5|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(N[6]C[4,5,6]C[6])(CH3)(H)2	122.1130	0.000	1	122.1130	0.000	1	122.1130	0.000	1	122.1130	0.000	1	121.4850	0.789	2	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,5,6]	C	4:3:4:	4:4:4:3:	3:4:4:1:	C[4,5,6]-4:C[6]-3:C-4:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	N[6]-3:C-4:C-4:H-1:	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	C(N[6]C[4,5,6]C[6])(CH3)2(H)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(N[6]C[4,5,6]C[6])(CH3)2(H)	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	121.4850	0.789	2	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[4,6,6]-4:C[6]-3:C-4:	C[4,3x6]-4:C[4,4x6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O[4]-2:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H){1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[4,6]C[6])(H)3	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O[4]-2:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3){1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[4,6]C[6])(H)3	117.5220	0.000	1	117.5220	0.000	1	117.5220	0.000	1	117.5220	0.000	1	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(N[6]C[6]C)(H)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C(N[6]C[4,6]C[6])(H)3	116.8170	0.000	1	116.8170	0.000	1	116.3295	0.475	2	116.3295	0.475	2	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[6]O[4]C)(C[4]C[6a]O[4]H)(N[6]C[6]C)(H)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6]O[4]C)(C[4]C[6a]O[4]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[4,6]C[6])(H)3	115.8420	0.000	1	115.8420	0.000	1	116.3295	0.475	2	116.3295	0.475	2	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CCHH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CCHH){1|C<4>,3|N<3>,3|O<1>}	C(N[6]C[4,6]C[6])(H)3	119.0400	0.000	1	119.0400	0.000	1	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,3|N<3>,3|O<1>}	C(N[6]C[4,6]C[6])(H)3	118.4290	0.000	1	118.4290	0.000	1	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CCHH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[4,6]C[6])(H)3	118.9040	1.011	4	118.9040	1.022	4	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CH3)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[6]C[4,6]C[6])(H)3	118.6615	0.349	4	118.6615	0.122	4	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CCHH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CCHH){1|C<4>,3|N<3>,3|O<1>}	C(N[6]C[4,6]C[6])(H)3	118.4080	0.420	2	118.4080	0.176	2	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP2_SP3_SP3	N[6]	C[4,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CH3)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CH3){1|C<4>,3|N<3>,3|O<1>}	C(N[6]C[4,6]C[6])(H)3	117.8900	0.158	2	117.8900	0.025	2	118.5948	0.409	14	118.5948	0.409	14	118.2389	0.916	18	118.3812	2.465	21
856	478	490	0:SP3_SP3_SP3	N[6,6]	C[4,3x6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[4,3x6]-4:C[3x6]-4:C-4:	C[4,3x6]-4:C[4,4x6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:H-1:	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	C[4,3x6](C[4,3x6]C[4,6,6]C[4x6]H)(C[4,4x6]C[4,6,6]C[4x6]N)(N[6,6]C[3x6]C)(H)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[4,3x6](C[4,3x6]C[4,6,6]C[4x6]H)(C[4,4x6]C[4,6,6]C[4x6]N)(N[6,6]C[3x6]C)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	115.2505	0.257	2	115.2505	0.066	2	115.2505	0.066	2	115.2505	0.066	2	115.2505	0.066	2	115.7340	0.734	3
856	478	490	0:SP3_SP3_SP3	N[6]	C[4,6,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[4,6,6]-4:C[6]-3:C-4:	C[4,3x6]-4:C[4,4x6]-4:N[6]-3:H-1:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	115.7340	0.734	3
856	478	643	0:SP3_SP2_SP3	N[6,6]	C[4,6,6]	C[6a]	4:4:3:	4:4:3:1:	3:3:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H)	C[6a](N[6,6]C[4,6,6]2)(C[6a]C[6a]H)2	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]C[6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6,6]C[4,6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	119.0485	1.528	2	119.0485	2.335	2	119.0485	2.335	2	119.0485	2.335	2	119.0485	2.335	2	119.0485	2.335	2
856	478	643	6:SP2_SP2_SP3	N[6,6]	C[4,6,6]	C[6,6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[4,6,6]-4:C[6,6,6a]-3:C-3:	C[4,6,6]-4:C[4,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO)	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]HH)(N[6,6]C[6,6,6a]C)(H)	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H)	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO){1|C<4>,3|C<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]HH)(N[6,6]C[6,6,6a]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1
856	478	762	0:SP2_SP2_SP3	N[6]	C[4]	C[6]	3:3:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[4]-4:	C[4]-4:C[4]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[6]C[6]2)(H){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.5080	0.704	2	117.5080	0.496	2	117.5080	0.496	2	117.5080	0.496	2	119.1522	4.950	4	119.1522	4.950	4
856	478	762	0:SP2_SP2_SP3	N[6]	C[4]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[4]-4:C[4]-3:N[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2C)(C[6]C[6]H)2	C[4](C[4]C[4]SiC)(C[4]C[4]C)(N[6]C[6]2)(CH3)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2C)(C[6]C[6]H)2{1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[4](C[4]C[4]SiC)(C[4]C[4]C)(N[6]C[6]2)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7965	1.882	2	120.7965	3.540	2	120.7965	3.540	2	120.7965	3.540	2	119.1522	4.950	4	119.1522	4.950	4
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[4,5,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H)	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O)	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	124.3630	0.000	1	124.3630	0.000	1	124.3630	0.000	1	124.3630	0.000	1	121.2933	10.010	3	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,5,6]	C[6]	4:3:4:	4:4:4:3:	4:3:1:	C[4,5,6]-4:C[6]-3:C-4:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	118.0430	0.000	1	118.0430	0.000	1	119.7585	5.886	2	119.7585	5.886	2	121.2933	10.010	3	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,5,6]	C[6]	4:3:4:	4:4:4:3:	4:3:1:	C[4,5,6]-4:C[6]-3:C-4:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH){2|O<2>,3|H<1>,5|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|Br<1>,1|C<3>,1|O<2>,2|H<1>,6|C<4>}	121.4740	0.000	1	121.4740	0.000	1	119.7585	5.886	2	119.7585	5.886	2	121.2933	10.010	3	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[6]-3:C-4:	C[4,3x6]-4:C[4,4x6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H)	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)2(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)2(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.6200	0.000	1	123.6200	0.000	1	123.5240	0.008	3	123.9207	0.291	6	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]Cl)2(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4,6]C[6]Cl)2(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.4760	0.047	2	123.4760	0.002	2	123.5240	0.008	3	123.9207	0.291	6	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	123.9207	0.291	6	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4]C[6]F)(C[4]C[6a]C[4]H)(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]F)(C[4]C[6a]C[4]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	124.4580	0.614	2	124.4580	0.377	2	124.4580	0.377	2	123.9207	0.291	6	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]C[6a]O[4]H)(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]C[6a]O[4]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4]-4:C[4]-4:N[6]-3:S[6]-2:	N[6]-3:C[6]-3:O-1:	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H)	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6])	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	126.7610	0.000	1	126.7610	0.000	1	126.7610	0.000	1	126.7610	0.000	1	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){3|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]C)(N[6]C[6]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	127.0790	0.000	1	127.0790	0.000	1	126.2850	1.966	4	126.2850	1.966	4	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	125.1715	0.856	2	126.0203	2.528	3	126.2850	1.966	4	126.2850	1.966	4	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	127.7180	0.000	1	126.0203	2.528	3	126.2850	1.966	4	126.2850	1.966	4	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[3,6]-4:C[4]-4:C[4]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H)	C[4,6](C[3,6]C[6,6a]C[3]2)(C[4]C[4]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[3,6]C[6,6a]C[3]2)(C[4]C[4]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	124.2230	0.279	2	124.2230	0.078	2	124.2230	0.078	2	124.2230	0.078	2	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO)	C[4,6](C[4,6]C[4,6]N[6]H)2(N[6]C[6]C)(H)	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO){1|C<4>,2|N<3>,3|H<1>}	C[4,6](C[4,6]C[4,6]N[6]H)2(N[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.2051	1.721	8	118.2051	2.962	8	118.2051	2.962	8	118.2051	2.962	8	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O[4]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:3:2:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O[4]-2:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(N[6]C[6]C)(H)	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	123.0575	1.012	2	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[6]O[4]C)(C[4]C[6a]O[4]H)(N[6]C[6]C)(H)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6]O[4]C)(C[4]C[6a]O[4]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	123.0575	1.012	2	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CCHH)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CCHH){1|C<4>,3|N<3>,3|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.7590	0.000	1	124.7590	0.000	1	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CH3)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,3|N<3>,3|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	125.3000	0.000	1	125.3000	0.000	1	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CCHH)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.7043	0.684	4	124.7043	0.468	4	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CH3)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(N[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.8695	0.649	4	124.8695	0.421	4	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CCHH)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CCHH){1|C<4>,3|N<3>,3|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.9725	0.555	2	124.9725	0.308	2	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:4:	4:4:3:4:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[4,6]-4:C[4,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CH3)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(N[6]C[6]C)(CH3){1|C<4>,3|N<3>,3|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	125.6950	0.223	2	125.6950	0.050	2	124.9778	0.350	14	124.9778	0.350	14	123.3958	8.577	41	123.1531	8.978	45
856	478	762	6:SP3_SP2_SP3	N[6]	C[4,6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[6]-3:C-4:	C[4,3x6]-4:C[4,4x6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H)	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[4,3x6]C[4x6]H)(C[4,4x6]C[4,3x6]C[4x6]N)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	121.2510	19.895	2
856	478	762	6:SP3_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	121.2510	19.895	2
856	478	930	0:SP2_SP2_SP3	N[6,6]	C[4,6,6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[4,6,6]-4:C[6,6,6a]-3:C-3:	C[4,6,6]-4:C[4,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO)	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]HH)(N[6,6]C[6,6,6a]C)(H)	C(N[6,6]C[6,6,6a]C[4,6,6])(CH3)(O)	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO){1|C<4>,3|C<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]HH)(N[6,6]C[6,6,6a]C)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[6,6]C[6,6,6a]C[4,6,6])(CH3)(O)	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	122.9698	7.062	5	120.8728	11.256	16
856	478	930	0:SP2_SP2_SP3	N[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C-4:O-1:	N[6,6](C[4,6,6]C[4,6,6]2H)2(CCO)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H)	C(N[6,6]C[4,6,6]2)(CCHH)(O)	N[6,6](C[4,6,6]C[4,6,6]2H)2(CCO){2|C<4>,2|N<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(N[6,6]C[4,6,6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[6,6]C[4,6,6]2)(CCHH)(O)	123.5187	2.722	4	123.5187	7.407	4	123.5187	7.407	4	123.5187	7.407	4	122.9698	7.062	5	120.8728	11.256	16
856	478	930	0:SP2_SP2_SP3	N[6]	C[4,6,6]	C	4:4:3:	4:4:4:3:	3:2:1:	C[4,6,6]-4:C[6]-4:C-3:	C[3,4,6]-4:C[4,6,6]-4:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO)	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO){4|C<4>,6|H<1>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	118.5675	5.743	2	118.5675	5.743	2	120.8728	11.256	16
856	478	930	0:SP2_SP2_SP3	N[6]	C[4,6,6]	C	4:4:3:	4:4:4:3:	3:2:1:	C[4,6,6]-4:C[6]-4:C-3:	C[4,6,6]-4:C[4,6]-4:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO)	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	118.5675	5.743	2	118.5675	5.743	2	120.8728	11.256	16
856	478	930	0:SP2_SP2_SP3	N[6]	C[4,6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO)	C[4,6](C[4,6]C[4,6]N[6]H)2(N[6]C[6]C)(H)	C(N[6]C[4,6]C[6])(CH3)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO){1|C<4>,2|N<3>,3|H<1>}	C[4,6](C[4,6]C[4,6]N[6]H)2(N[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[4,6]C[6])(CH3)(O)	120.1451	3.742	8	120.1451	13.999	8	120.1451	13.999	8	120.1451	13.999	8	120.2201	12.300	9	120.8728	11.256	16
856	478	930	0:SP2_SP2_SP3	N[6]	C[4,6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[4,6]-4:C[6]-4:C-3:	C[4,6,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO)	C[4,6](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6]C[4,6,6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[4,6]C[6])(OC[6a])(O)	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6]C[4,6,6]C[6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C(N[6]C[4,6]C[6])(OC[6a])(O)	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	120.2201	12.300	9	120.8728	11.256	16
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,5,6]	H	4:3:1:	4:4:4:3:	3:	C[4,5,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H)	H(N[6]C[4,5,6]C[6])	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(N[6]C[4,5,6]C[6])	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)2(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)2(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[4,6]C[6])	118.2940	0.000	1	118.2940	0.000	1	118.0062	0.594	4	118.4343	3.928	7	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]Cl)2(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4,6]C[6]Cl)2(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[4,6]C[6])	117.8895	1.292	2	117.8895	1.669	2	118.0062	0.594	4	118.4343	3.928	7	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[4,6]C[6])	117.9520	0.000	1	117.9520	0.000	1	118.0062	0.594	4	118.4343	3.928	7	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]C[6a]O[4]H)(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]C[6a]O[4]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[4,6]C[6])	115.9930	0.000	1	115.9930	0.000	1	119.0050	10.037	3	118.4343	3.928	7	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4]C[6]F)(C[4]C[6a]C[4]H)(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]F)(C[4]C[6a]C[4]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[4,6]C[6])	120.5110	2.543	2	120.5110	6.466	2	119.0050	10.037	3	118.4343	3.928	7	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:2:	3:	C[4,6]-4:C[6]-3:H-1:	C[4]-4:C[4]-4:N[6]-3:S[6]-2:	N[6]-3:	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H)	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6])	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[4,6]C[6])	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H)	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(N[6]C[4,6]C[6])	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]C)(N[6]C[6]H)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){3|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]C)(N[6]C[6]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[4,6]C[6])	116.4430	0.000	1	116.4430	0.000	1	116.8752	0.485	4	116.8752	0.485	4	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[4,6]C[6])	117.4300	0.440	2	117.0193	0.603	3	116.8752	0.485	4	116.8752	0.485	4	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[6a]C[4]H)(N[6]C[6]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[4,6]C[6])	116.1980	0.000	1	117.0193	0.603	3	116.8752	0.485	4	116.8752	0.485	4	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:4:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[3,6]-4:C[4]-4:C[4]-4:N[6]-3:	N[6]-3:	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H)	C[4,6](C[3,6]C[6,6a]C[3]2)(C[4]C[4]HH)2(N[6]C[6]H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[3,6]C[6,6a]C[3]2)(C[4]C[4]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,6|H<1>}	H(N[6]C[4,6]C[6])	117.8890	0.140	2	117.8890	0.020	2	117.8890	0.020	2	117.8890	0.020	2	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP2_SP-NON_SP3	N[6]	C[4,6]	H	4:4:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-4:H-1:	C[4,6]-4:C[4]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H)	C[4,6](C[4,6]C[6,6a]N[4]H)(C[4]N[4]O)(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[4,6](C[4,6]C[6,6a]N[4]H)(C[4]N[4]O)(N[6]C[6]H)(H){2|C<3>,3|H<1>}	H(N[6]C[4,6]C[6])	124.0150	0.000	1	124.0150	0.000	1	124.0150	0.000	1	124.0150	0.000	1	118.2209	4.606	16	118.1996	4.326	17
856	478	951	0:SP3_SP-NON_SP3	N[6,6]	C[4,6,6]	H	4:4:1:	4:4:3:1:	3:	C[4,6,6]-4:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:	N[6,6](C[4,6,6]C[4,6,6]2H)2(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H)	H(N[6,6]C[4,6,6]2)	N[6,6](C[4,6,6]C[4,6,6]2H)2(H){4|C<3>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(N[6,6]C[4,6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(N[6,6]C[4,6,6]2)	111.3138	1.230	6	111.3138	1.514	6	111.3138	1.514	6	111.3138	1.514	6	111.3138	1.514	6	108.8160	29.159	11
856	478	951	0:SP3_SP-NON_SP3	N[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[4,6]C[6])	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	105.8187	50.418	5	108.8160	29.159	11
856	478	951	0:SP3_SP-NON_SP3	N[6]	C[4,6]	H	4:4:1:	3:4:4:3:	3:	C[4,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	N[6]-3:	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[4,6]C[6])	110.9140	0.000	1	110.9140	0.000	1	103.5699	33.509	4	103.5699	33.509	4	105.8187	50.418	5	108.8160	29.159	11
856	478	951	0:SP3_SP-NON_SP3	N[6]	C[4,6]	H	4:4:1:	3:4:4:3:	3:	C[4,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	N[6]-3:	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[4,6]C[6])	101.1218	3.782	3	101.1218	14.306	3	103.5699	33.509	4	103.5699	33.509	4	105.8187	50.418	5	108.8160	29.159	11
856	478	952	0:SP3_SP3_SP3	N[6]	C[4,6]	S	4:4:4:	4:3:3:1:	3:3:1:1:	C[4,6]-4:C[6]-4:S-4:	C[4,6]-4:C[4]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO)	C[4,6](C[4,6]C[5,6]N[4]H)(C[4]N[4]O)(N[6]C[6]S)(H)	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[4,6](C[4,6]C[5,6]N[4]H)(C[4]N[4]O)(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1
856	486	490	0:SP2_SP3_SP3	N[6]	C[3,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	N[6]-3:H-1:H-1:H-1:	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	C(N[6]C[3,6]C[6])(H)3	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[3,6]C[6])(H)3	119.3007	0.630	3	119.3007	0.397	3	119.3007	0.397	3	119.3007	0.397	3	119.5722	0.560	4	119.5722	0.560	4
856	486	490	0:SP2_SP3_SP3	N[6]	C[3,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:H-1:H-1:	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	119.5722	0.560	4	119.5722	0.560	4
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:N[6]-3:N[3]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3])	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.7920	1.553	2	119.7920	2.411	2	119.7920	2.411	2	120.0255	0.884	4	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:P[3]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]P[3]C)(P[3]C[3])	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,5|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]P[3]C)(P[3]C[3]){1|C<4>,2|O<1>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,1|P<2>,2|C<3>,2|H<1>}	120.2590	0.153	2	120.2590	0.023	2	120.2590	0.023	2	120.0255	0.884	4	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:N[6]-3:C[3]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])2(C[3]C[3]H)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])2(C[3]C[3]H){1|C<4>,2|O<1>,6|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.8780	1.543	2	117.8780	2.381	2	117.8780	2.381	2	117.9872	0.682	6	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:C[3]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]C[6])(C[3]C[3]H)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<3>,5|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]C[6])(C[3]C[3]H){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.5675	0.298	2	117.5675	0.089	2	118.0418	0.332	4	117.9872	0.682	6	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:C[3]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]H)2	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,4|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]H)2{1|C<4>,2|O<1>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.5160	0.086	2	118.5160	0.007	2	118.0418	0.332	4	117.9872	0.682	6	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:C[6]-4:C[3]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,8|C<4>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.5510	0.000	1	118.5510	0.000	1	118.5510	0.000	1	118.5510	0.000	1	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-4:C[3]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<2>,2|H<1>,4|C<3>,4|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2{1|C<4>,2|O<1>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.2490	1.764	2	121.2490	3.110	2	121.2490	3.110	2	121.2490	3.110	2	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.3427	1.375	4	120.3427	1.889	4	120.3427	1.889	4	120.3427	1.889	4	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:N[6]-3:N[6]-3:C[3]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH){1|C<4>,2|O<1>,6|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.3225	0.779	2	121.3225	0.606	2	121.3225	0.606	2	121.3225	0.606	2	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3,5,6]C[3,5,6]C[5,5,6]H)2(N[6]C[6a]C[6])2	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,6|C<4>}	C[3,6](C[3,5,6]C[3,5,6]C[5,5,6]H)2(N[6]C[6a]C[6])2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	125.1462	0.708	4	125.1462	0.501	4	125.1462	0.501	4	123.3743	4.609	8	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:C[3]-4:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2{1|C<4>,2|O<1>,8|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.6022	1.371	4	121.6022	1.881	4	121.6022	1.881	4	123.3743	4.609	8	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[3,6]-4:N[6]-3:C[3]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H){1|C<4>,1|N<2>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	120.5898	6.492	28	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.5300	0.000	1	119.2940	0.111	2	119.2940	0.111	2	119.2940	0.111	2	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.0580	0.000	1	119.2940	0.111	2	119.2940	0.111	2	119.2940	0.111	2	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.2940	0.365	2	122.2940	0.133	2	120.0204	2.049	11	120.0204	2.049	11	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	121.2610	0.000	1	119.5151	0.965	9	120.0204	2.049	11	120.0204	2.049	11	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.2969	0.783	8	119.5151	0.965	9	120.0204	2.049	11	120.0204	2.049	11	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	C[3](N[6]C[6,6a]C[6,6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	C[3](N[6]C[6,6a]C[6,6])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	119.7207	2.148	14	120.3001	5.128	42
856	486	643	0:SP3_SP2_SP3	N[6]	C[3,6]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[3,6]-4:N[6]-3:C[3]-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(N[6]C[6a]C[6])(C[3]C[3,6]CC)(H){1|C<4>,1|N<2>,4|C<3>}	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1
856	486	643	6:SP2_SP2_SP3	N[6,6]	C[3,6,6]	C[6,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.2767	0.077	3	116.2767	0.006	3	116.2767	0.006	3	116.2767	0.006	3	116.2767	0.006	3	116.6170	0.467	4
856	486	643	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6,6a]	3:4:4:	4:4:3:3:	3:3:3:	C[6,6a]-3:C[3,6]-4:S-4:	C[3,6]-4:C[3]-4:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	116.6170	0.467	4
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[3](N[6]C[5,6]C[6,6])(C[3]C[3]HH)2(H)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	C[3](N[6]C[5,6]C[6,6])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	122.3110	0.000	2	122.3110	0.000	2	122.3110	0.000	2	120.9748	2.728	6	120.9748	2.728	6	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[3](N[6]C[6,6]2)(C[3]C[3]HH)2(H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	C[3](N[6]C[6,6]2)(C[3]C[3]HH)2(H){2|C<3>,2|C<4>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	120.6110	2.800	2	120.3067	2.761	4	120.3067	2.761	4	120.9748	2.728	6	120.9748	2.728	6	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6,6]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[3](N[6]C[6,6]2)(C[3]C[3]HH)2(H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	C[3](N[6]C[6,6]2)(C[3]C[3]HH)2(H){2|C<3>,2|C<4>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	120.0025	0.269	2	120.3067	2.761	4	120.3067	2.761	4	120.9748	2.728	6	120.9748	2.728	6	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	120.0210	0.000	1	120.2235	0.082	2	120.2235	0.082	2	120.2235	0.082	2	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){2|C<4>,2|H<1>,4|C<3>}	120.4260	0.000	1	120.2235	0.082	2	120.2235	0.082	2	120.2235	0.082	2	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3445	0.185	2	119.9284	1.198	11	119.9284	1.198	11	119.9284	1.198	11	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3444	0.888	8	119.9284	1.198	11	119.9284	1.198	11	119.9284	1.198	11	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	N[6]-3:C[3]-4:C[3]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	C[3](N[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	119.7680	0.000	1	119.9284	1.198	11	119.9284	1.198	11	119.9284	1.198	11	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H){1|C<4>,3|C<3>}	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.1380	0.922	3	119.1380	0.851	3	119.1380	0.851	3	119.1380	0.851	3	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:3:4:	C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H){1|C<4>,3|C<3>}	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5893	0.974	3	119.5893	0.949	3	119.5893	0.949	3	119.5893	0.949	3	119.8699	1.086	20	120.1249	1.596	26
856	486	762	0:SP2_SP2_SP3	N[6]	C[3]	C[6]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[3]-4:C[6]-3:	C[3]-4:C[3]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	C[3](C[3]C[3]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	119.8699	1.086	20	120.1249	1.596	26
856	486	762	6:SP2_SP2_SP3	N[6,6]	C[3,6,6]	C[6]	4:3:3:	4:3:2:3:	3:4:1:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O)	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	121.0267	0.405	3	121.0267	0.164	3	121.0267	0.164	3	121.0267	0.164	3	121.0267	0.164	3	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	126.4513	0.314	4	126.4513	0.099	4	126.4513	0.099	4	126.4513	0.099	4	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:N[6]-3:N[3]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]N[3])(N[6]C[6a]C[6])2(N[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	120.7075	0.035	2	120.7075	0.001	2	120.7075	0.001	2	121.0763	0.187	4	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:3:2:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:P[3]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]P[3]C)(P[3]C[3])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,5|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]P[3]C)(P[3]C[3]){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	121.4450	0.120	2	121.4450	0.014	2	121.4450	0.014	2	121.0763	0.187	4	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:N[6]-3:C[3]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])2(C[3]C[3]H)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])2(C[3]C[3]H){1|C<4>,2|O<1>,6|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	123.5275	0.602	2	123.5275	0.362	2	123.5275	0.362	2	122.9407	0.895	6	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:C[3]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]C[6])(C[3]C[3]H)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<3>,5|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]C[6])(C[3]C[3]H){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	123.4710	0.566	2	123.4710	0.320	2	122.6472	1.027	4	122.9407	0.895	6	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-3:C[3]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]H)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,4|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]H)2{1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	121.8235	0.218	2	121.8235	0.048	2	122.6472	1.027	4	122.9407	0.895	6	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:4:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-3:N[6]-3:C[6]-4:C[3]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,8|C<4>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,4|C<3>}	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	3:3:4:4:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[3]-4:C[3]-4:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<2>,2|H<1>,4|C<3>,4|C<4>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2{1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	121.9980	0.107	2	121.9980	0.012	2	121.9980	0.012	2	121.9980	0.012	2	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	122.0498	0.938	4	122.0498	0.880	4	122.0498	0.880	4	122.0498	0.880	4	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:N[6]-3:N[6]-3:C[3]-4:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH)	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<4>,5|C<3>}	C[3,6](C[3]C[6a]C[3]H)(N[6]C[6a]C[6])2(C[3]C[3]HH){1|C<4>,2|O<1>,6|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	122.5690	0.372	2	122.5690	0.138	2	122.5690	0.138	2	122.5690	0.138	2	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	4:4:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[3,5,6]-4:N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3,5,6]C[3,5,6]C[5,5,6]H)2(N[6]C[6a]C[6])2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,6|C<4>}	C[3,6](C[3,5,6]C[3,5,6]C[5,5,6]H)2(N[6]C[6a]C[6])2{2|H<1>,2|O<1>,4|C<3>,4|C<4>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	117.0958	0.569	4	117.0958	0.323	4	117.0958	0.323	4	119.8605	8.974	8	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:3:	4:4:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[3]-4:C[3]-4:N[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	C[3,6](C[3]C[6a]C[3]H)2(N[6]C[6a]C[6])2{1|C<4>,2|O<1>,8|C<3>}	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	122.6252	0.482	4	122.6252	0.232	4	122.6252	0.232	4	119.8605	8.974	8	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:4:	4:3:2:3:	4:3:1:	C[3,6]-4:C[6]-3:S-4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:4:	4:3:3:2:	4:3:1:	C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:N[6]-3:O-1:	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O)	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8550	0.267	3	119.8550	0.071	3	119.8550	0.071	3	119.8550	0.071	3	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:4:	4:4:3:3:	3:4:1:	C[3,6]-4:C[6]-3:C-4:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O)	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	119.8910	0.000	1	119.8910	0.000	1	119.8910	0.000	1	119.8910	0.000	1	122.0509	6.542	37	121.9741	6.122	40
856	486	762	6:SP3_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1
856	486	818	0:SP2_SP2_SP3	N[6]	C[3]	C[5,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[3](N[6]C[5,6]C[6,6])(C[3]C[3]HH)2(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	C[3](N[6]C[5,6]C[6,6])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	120.6390	0.000	2	120.6390	0.000	2	120.6390	0.000	2	120.6390	0.000	2	120.6390	0.000	2	120.6390	0.000	2
856	486	914	6:SP2_SP2_SP3	N[6]	C[3,6]	N[6]	4:2:3:	4:4:3:2:	3:3:	C[3,6]-4:N[6]-2:C-3:	C[3,6]-4:C[3]-4:N[6]-3:O-2:	C[6]-3:N[6]-3:	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi)	N[6](C[6]C[6a]C[6])(N[6]C[3,6]C)	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[3,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1
856	486	930	0:SP2_SP2_SP3	N[6]	C[3,4,6]	C	4:4:3:	4:4:4:3:	3:2:1:	C[3,4,6]-4:C[6]-4:C-3:	C[3,4,6]-4:C[4,6,6]-4:C[3,6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO)	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C)	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	C[3,4,6](C[3,4,6]C[4,6,6]C[3,6]H)(C[4,6,6]C[4,6,6]C[6,6]H)(C[3,6]C[3,4,6]C[6]O)(N[6]C[6]C){1|N<3>,3|C<4>,6|H<1>}	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	118.8595	0.276	2
856	486	930	0:SP2_SP2_SP3	N[6]	C[3,6]	C	4:2:3:	4:4:3:2:	3:3:1:	C[3,6]-4:N[6]-2:C-3:	C[3,6]-4:C[3]-4:N[6]-3:O-2:	N[6]-3:C[6a]-3:O-1:	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi)	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]N[6]C)(OSi){1|C<3>,2|H<1>}	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.8595	0.276	2
856	486	951	0:SP2_SP-NON_SP3	N[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]C)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	H(N[6]C[3,6]C[6])	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.3950	0.987	5	117.3950	0.987	5
856	486	951	0:SP2_SP-NON_SP3	N[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[3,6]C[6])	117.4908	1.120	4	117.4908	1.255	4	117.4908	1.255	4	117.4908	1.255	4	117.3950	0.987	5	117.3950	0.987	5
856	486	951	0:SP3_SP-NON_SP3	N[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[3,6]C[6])	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1
856	486	952	0:SP2_SP3_SP3	N[6]	C[3,6]	S	3:4:4:	4:4:3:3:	3:3:1:1:	C[6,6a]-3:C[3,6]-4:S-4:	C[3,6]-4:C[3]-4:N[6]-3:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO)	S(N[6]C[6,6a]C[3,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(N[6]C[6,6a]S)(COO){1|H<1>,1|O<2>,2|C<3>}	S(N[6]C[6,6a]C[3,6])(C[6a]C[6a]2)(O)2	118.5700	0.000	1	118.5700	0.000	1	118.5700	0.000	1	118.5700	0.000	1	118.3480	0.099	2	118.3480	0.099	2
856	486	952	0:SP2_SP3_SP3	N[6]	C[3,6]	S	4:3:4:	4:3:2:3:	3:3:1:1:	C[3,6]-4:C[6]-3:S-4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	S(N[6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	S(N[6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	118.3480	0.099	2	118.3480	0.099	2
856	490	542	0:SP3_SP3_SP3	N[6]	C	N[5,6]	3:4:4:	3:3:1:1:	4:3:3:	N[5,6]-3:C[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)	C(N[6]N[5,6]C[6])(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[6]N[5,6]C[6])(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1
856	490	602	0:SP2_SP3_SPD6	N[6]	C	Ga[3x6]	6:3:4:	3:4:1:1:	3:3:3:2:2:2:	Ga[3x6]-6:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH)	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH){1|H<1>,2|C<4>,5|C<3>}	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3{3|C<3>,6|C<4>}	116.9917	2.490	3	116.9917	6.201	3	116.9917	6.201	3	116.9917	6.201	3	116.9917	6.201	3	116.9917	6.201	3
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	3:3:4:	3:4:4:1:	3:3:1:	B[6]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(H)	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH){3|C<4>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(H){2|H<1>,2|N<3>}	120.0010	0.000	1	120.0010	0.000	1	120.0010	0.000	1	120.0010	0.000	1	127.6514	10.227	8	127.6514	10.227	8
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	3:3:4:	3:4:4:4:	4:3:3:	B[6]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-4:N[6]-3:N-3:	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3){1|C<4>,3|H<1>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	129.0355	0.112	2	129.0355	0.013	2	129.0355	0.013	2	129.0355	0.013	2	127.6514	10.227	8	127.6514	10.227	8
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:B[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(H)	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(H){2|H<1>,2|N<3>}	128.9310	0.000	1	128.9310	0.000	1	128.9310	0.000	1	128.9310	0.000	1	127.6514	10.227	8	127.6514	10.227	8
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:4:	3:3:3:	C[6]-4:B[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2){1|C<4>,3|H<1>}	129.9650	0.000	1	129.9650	0.000	1	129.9650	0.000	1	129.9650	0.000	1	127.6514	10.227	8	127.6514	10.227	8
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:4:	4:3:3:	C[6]-4:B[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	127.6850	0.856	2	128.0810	0.836	3	128.0810	0.836	3	128.0810	0.836	3	127.6514	10.227	8	127.6514	10.227	8
856	490	618	0:SP2_SP2_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:4:	4:3:3:	C[6]-4:B[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<4>,4|H<1>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<4>,4|H<1>}	128.8730	0.000	1	128.0810	0.836	3	128.0810	0.836	3	128.0810	0.836	3	127.6514	10.227	8	127.6514	10.227	8
856	490	622	0:SP2_SP3_SP3	N[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	B[6]-4:N[6]-3:	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	C(N[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	112.4430	2.200	3	112.4430	2.200	3
856	490	622	0:SP2_SP3_SP3	N[6]	C	O[6]	3:2:4:	3:4:4:4:	4:3:	C[6]-3:O[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	B[5a,6]-4:N[6]-3:	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3)	C(N[6]C[6]O[6])(CH3)3	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3){2|C<3>,2|O<2>}	C(N[6]C[6]O[6])(CH3)3	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C){1|H<1>,4|C<3>}	111.5870	0.051	2	111.5870	0.003	2	111.5870	0.003	2	111.5870	0.003	2	112.4430	2.200	3	112.4430	2.200	3
856	490	622	0:SP3_SP2_SP3	N[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(O[6]C[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6]O)(N[6]C[6]C)	N[6](C[6]N[6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.8985	1.248	2	105.8985	1.558	2	105.8985	1.558	2	105.8985	1.558	2	104.4280	7.266	3	104.4280	7.266	3
856	490	622	0:SP3_SP2_SP3	N[6]	C	O[6]	4:4:2:	3:3:3:1:	3:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	B[6]-3:N[6]-3:	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	O[6](B[6]C[6a]O[6])(N[6]C[6]C)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	O[6](B[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	101.4870	0.000	1	101.4870	0.000	1	101.4870	0.000	1	101.4870	0.000	1	104.4280	7.266	3	104.4280	7.266	3
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	C(N[6]C[6,6a]O[6])(H)3	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]O[6])(H)3	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C){1|O<2>,2|C<4>,3|C<3>}	103.7060	0.000	1	103.7060	0.000	1	103.7060	0.000	1	103.7060	0.000	1	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	3:4:2:	3:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6]CH)(N[6]C[6]C)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C(N[6]C[6]O[6])(H)3	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	101.9620	0.000	2	101.9620	0.000	2	101.9620	0.000	2	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C)	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C){2|H<1>,2|O<2>,3|C<4>}	103.5570	0.000	1	103.5570	0.000	1	105.9644	13.257	5	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1910	0.000	1	109.9445	0.122	2	105.9644	13.257	5	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	109.6980	0.000	1	109.9445	0.122	2	105.9644	13.257	5	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	103.1880	0.115	2	103.1880	0.013	2	105.9644	13.257	5	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	Ga[6]-4:N[6]-3:	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	C(N[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]CC)(N[6]C[6]C)	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(N[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]CC)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	104.8833	10.876	8	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:2:4:	3:3:4:1:	4:3:	C[6]-4:O[6]-2:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:4:2:	3:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]CH)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	102.1700	0.000	1	102.1700	0.000	1	104.7424	12.293	7	104.7424	12.293	7	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:4:2:	3:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]HN)(N[6]C[6]C)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]HN)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	102.9530	0.000	1	102.9530	0.000	1	104.7424	12.293	7	104.7424	12.293	7	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:4:2:	3:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	102.8070	0.000	1	102.8070	0.000	1	104.7424	12.293	7	104.7424	12.293	7	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:4:2:	3:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	109.6925	0.136	2	109.6925	0.019	2	104.7424	12.293	7	104.7424	12.293	7	105.2153	13.737	18	105.2153	13.737	18
856	490	622	0:SP3_SP3_SP3	N[6]	C	O[6]	4:4:2:	3:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	102.9410	2.162	2	102.9410	4.676	2	104.7424	12.293	7	104.7424	12.293	7	105.2153	13.737	18	105.2153	13.737	18
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	119.8910	0.000	1	119.8910	0.000	1	119.8910	0.000	1	121.6380	2.540	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]N[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C){1|H<1>,2|C<3>,2|O<2>}	122.5115	0.708	2	122.5115	0.501	2	122.5115	0.501	2	121.6380	2.540	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	118.6266	0.502	5	118.6077	0.204	6	118.6077	0.204	6	118.6077	0.204	6	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	118.5130	0.000	1	118.6077	0.204	6	118.6077	0.204	6	118.6077	0.204	6	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[5a,6]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(N[6]C[5a,6]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7230	0.000	1	121.7230	0.000	1	120.5575	2.717	2	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[5a,6]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[5a,6]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.3920	0.000	1	119.3920	0.000	1	120.5575	2.717	2	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.3247	0.297	3	117.3247	0.088	3	117.3247	0.088	3	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.0075	0.166	2	120.0075	0.028	2	120.0075	0.028	2	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,4|C<3>}	120.2730	0.000	1	120.2730	0.000	1	119.5380	1.080	2	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.8030	0.000	1	118.8030	0.000	1	119.5380	1.080	2	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.7600	0.000	1	120.7600	0.000	1	120.7600	0.000	1	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	117.3870	0.000	1	117.3870	0.000	1	118.1600	3.887	3	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	116.6920	0.000	1	116.6920	0.000	1	118.1600	3.887	3	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.4010	0.000	1	120.4010	0.000	1	118.1600	3.887	3	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C){1|H<1>,4|C<3>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.8150	0.368	4	119.8150	0.136	4	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.5447	1.333	4	119.5447	1.776	4	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.8815	0.032	2	119.8815	0.001	2	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.0057	0.372	7	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0615	0.455	2	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.4887	0.576	4	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.0970	0.361	4	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.3020	0.982	154	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.1205	1.824	2	119.2963	0.904	173	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.5315	0.306	4	119.3029	0.104	8	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.0743	0.098	4	119.3029	0.104	8	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8720	0.000	1	117.8548	0.422	15	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7760	0.696	12	117.8548	0.422	15	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	118.3190	0.250	2	117.8548	0.422	15	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	117.2750	0.290	2	117.2750	0.084	2	119.1935	1.001	208	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	119.8205	0.329	4	119.8205	0.108	4	119.8205	0.108	4	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.1790	0.000	1	118.8430	0.442	3	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	119.1750	0.471	2	118.8430	0.442	3	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	117.4080	0.000	1	117.4080	0.000	1	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	116.5730	0.000	1	116.7452	0.591	22	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	116.7428	0.822	16	116.7452	0.591	22	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<7>,1|H<1>,1|N<3>,3|C<3>}	116.7876	0.748	5	116.7452	0.591	22	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|H<1>,1|N<3>,3|C<3>}	116.9350	0.000	1	116.9350	0.000	1	117.0099	0.964	27	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.6565	0.374	4	118.6565	0.140	4	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.0800	0.000	1	118.9729	0.247	9	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	118.5755	0.057	2	118.9729	0.247	9	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.6010	0.000	1	118.9729	0.247	9	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.5050	0.345	2	118.9729	0.247	9	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3047	0.428	3	118.9729	0.247	9	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	119.3295	0.370	2	119.3295	0.137	2	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.5080	0.000	1	119.5080	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.0720	0.000	1	118.0720	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.7250	0.000	1	119.5690	0.501	8	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	119.1040	0.000	1	119.5690	0.501	8	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7872	0.677	6	119.5690	0.501	8	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	118.8200	0.000	1	118.8200	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	119.7205	0.265	2	119.7205	0.070	2	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	117.7920	0.000	1	117.7453	0.924	31	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	116.4410	0.000	1	117.7453	0.924	31	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	117.0510	0.000	1	117.7453	0.924	31	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	119.4200	0.000	1	117.7453	0.924	31	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	117.7555	0.935	27	117.7453	0.924	31	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	118.6660	0.313	2	120.2556	1.377	11	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|N<3>,2|C<3>,2|H<1>}	120.7165	0.976	8	120.2556	1.377	11	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	119.7480	0.000	1	120.2556	1.377	11	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C){2|C<3>,4|H<1>}	121.7320	0.000	1	121.7320	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.5010	0.000	1	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.7337	0.064	3	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.1353	0.901	3	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.6150	0.000	1	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	120.0640	0.517	5	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|Pd<4>,2|C<3>,2|H<1>}	120.0440	0.000	1	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	119.9303	0.407	3	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.1437	0.682	6	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.2283	0.328	3	119.6702	0.408	26	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	122.5783	0.170	3	122.5783	0.029	3	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	119.7675	0.091	2	119.6546	0.112	5	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cd<4>,2|C<3>,3|H<1>}	119.8110	0.277	2	119.6546	0.112	5	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.1160	0.000	1	119.6546	0.112	5	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	118.8120	0.000	1	118.8120	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.5660	0.000	1	120.5660	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.6020	0.000	1	121.6020	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	119.2420	0.086	2	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.2210	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.2250	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.5630	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.3540	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.3950	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.6770	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.8700	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.0060	0.000	1	119.5795	0.234	10	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9520	0.000	1	119.6925	0.135	2	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	119.4330	0.000	1	119.6925	0.135	2	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.1360	0.000	1	118.4955	0.161	4	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.6153	0.393	3	118.4955	0.161	4	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.2590	0.000	1	119.2590	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0980	0.000	1	120.0980	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	117.4230	0.217	3	117.4230	0.047	3	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9680	0.000	1	119.9680	0.000	1	119.1558	1.655	130	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){3|H<1>,5|C<3>}	123.2766	0.246	5	123.2766	0.061	5	123.4497	0.228	6	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	124.3150	0.000	1	124.3150	0.000	1	123.4497	0.228	6	119.1122	1.893	390	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.8910	0.000	1	118.5262	0.152	5	118.6067	0.160	6	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4350	0.384	4	118.5262	0.152	5	118.6067	0.160	6	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	119.0090	0.000	1	119.0090	0.000	1	118.6067	0.160	6	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.7130	0.000	1	120.6127	0.021	4	119.5735	1.321	8	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.5793	0.155	3	120.6127	0.021	4	119.5735	1.321	8	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.4140	0.430	3	118.5343	0.181	4	119.5735	1.321	8	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.8950	0.000	1	118.5343	0.181	4	119.5735	1.321	8	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:O-2:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO)	C(N[6]C[6,6a]C[6])(OC)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	117.0660	0.560	2	117.0660	0.314	2	117.0660	0.314	2	118.8975	1.416	16	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.9820	1.162	2	120.4575	0.968	4	120.4575	0.968	4	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	121.5020	0.000	1	120.4575	0.968	4	120.4575	0.968	4	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	120.3640	0.000	1	120.4575	0.968	4	120.4575	0.968	4	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){2|H<1>,5|C<3>}	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.5240	1.468	2	118.5240	2.155	2	118.5240	2.155	2	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5435	0.366	2	117.5435	0.134	2	117.5435	0.134	2	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3372	1.238	8	118.3372	1.533	8	117.9625	1.359	12	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.2130	0.532	4	117.2130	0.283	4	117.9625	1.359	12	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.0050	0.000	1	118.8444	1.117	5	118.8444	1.117	5	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.0542	1.094	4	118.8444	1.117	5	118.8444	1.117	5	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CSS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CSS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	117.5790	0.000	1	117.5790	0.000	1	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	120.5330	0.000	1	120.5330	0.000	1	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCI)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CCI)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.4950	0.000	1	120.4950	0.000	1	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CNO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CNO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.0670	0.058	2	120.0670	0.003	2	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.9555	0.709	2	119.4163	0.889	3	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.3380	0.000	1	119.4163	0.889	3	119.6238	1.153	8	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	121.8230	0.420	2	121.8230	0.176	2	120.5526	4.298	5	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	121.0560	0.834	2	121.0560	0.696	2	120.5526	4.298	5	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	117.0050	0.000	1	117.0050	0.000	1	120.5526	4.298	5	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.6100	0.000	1	119.6100	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	119.8180	0.000	1	119.8180	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.9710	0.000	1	119.9710	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	119.3380	0.000	1	119.3380	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.7595	0.052	2	120.7595	0.003	2	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	120.6165	0.323	2	119.9674	1.553	17	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	120.4220	0.000	1	119.9674	1.553	17	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.8422	1.344	14	119.9674	1.553	17	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	123.5395	0.767	6	123.5395	0.588	6	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	120.3650	0.000	2	120.3650	0.000	2	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.3010	0.000	1	120.3010	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	123.0580	0.000	1	123.0580	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,3|H<1>}	119.1670	0.000	1	119.0705	0.019	2	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.9740	0.000	1	119.0705	0.019	2	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	119.3140	0.000	1	119.3140	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.5430	0.000	1	120.5787	0.019	3	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.4610	0.000	1	120.5787	0.019	3	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.7320	0.000	1	120.5787	0.019	3	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.4870	0.994	2	118.8130	0.813	3	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.4650	0.000	1	118.8130	0.813	3	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.7940	0.000	1	120.7940	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.4890	0.689	2	120.3350	0.190	4	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.1810	0.000	2	120.3350	0.190	4	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	119.6980	0.000	1	119.6980	0.000	1	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.4780	0.337	2	118.4780	0.113	2	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.1800	0.443	2	120.6125	0.292	6	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	121.5330	0.000	1	120.6125	0.292	6	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.5500	0.000	1	120.6125	0.292	6	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.6160	0.195	2	120.6125	0.292	6	120.4202	2.221	57	119.9241	2.990	97	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	117.8580	0.175	2	117.8580	0.031	2	117.6610	0.377	4	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH){1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	117.4640	0.972	2	117.4640	0.944	2	117.6610	0.377	4	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.3860	0.000	1	121.0884	0.343	8	121.0884	0.343	8	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1535	0.645	4	121.0884	0.343	8	121.0884	0.343	8	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.5295	0.326	2	121.0884	0.343	8	121.0884	0.343	8	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.6480	0.000	1	121.0884	0.343	8	121.0884	0.343	8	119.9459	3.168	12	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	117.8740	0.184	2	117.8740	0.034	2	118.1295	0.103	4	118.1295	0.103	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.4690	0.000	1	118.4690	0.000	1	118.1295	0.103	4	118.1295	0.103	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	118.3010	0.000	1	118.3010	0.000	1	118.1295	0.103	4	118.1295	0.103	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	118.8210	0.000	1	118.6680	0.047	2	118.9020	3.068	5	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.5150	0.000	1	118.6680	0.047	2	118.9020	3.068	5	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	121.7950	0.000	1	121.7950	0.000	1	118.9020	3.068	5	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	117.6895	0.897	2	117.6895	0.805	2	118.9020	3.068	5	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	119.9005	0.326	2	119.9005	0.106	2	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.7363	0.467	6	118.7363	0.219	6	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	121.1215	0.268	4	121.1215	0.072	4	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	121.6360	0.000	1	121.6360	0.000	1	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.2380	0.000	1	118.2380	0.000	1	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.6680	0.000	1	118.6680	0.000	1	119.6831	1.578	15	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	120.6483	0.121	3	120.4562	0.159	5	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	120.1680	0.573	2	120.4562	0.159	5	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	118.8675	0.333	2	118.9947	0.113	8	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	118.9944	0.381	5	118.9947	0.113	8	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){2|H<1>,4|C<3>}	119.2510	0.000	1	118.9947	0.113	8	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	121.8230	0.000	1	122.1885	0.267	2	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	122.5540	0.000	1	122.1885	0.267	2	119.8528	1.399	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	117.6140	0.000	1	118.8540	3.075	2	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	120.0940	0.000	1	118.8540	3.075	2	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3090	0.000	1	119.3090	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.7713	0.626	4	119.2319	0.590	11	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.2990	0.000	1	119.2319	0.590	11	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.6178	0.740	4	119.2319	0.590	11	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.8480	0.100	2	119.2319	0.590	11	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	120.0700	0.000	1	120.0700	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.3220	0.000	1	119.3220	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]2)(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.5225	0.232	4	121.5225	0.054	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.8650	0.000	1	118.8650	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	119.6720	0.000	1	119.6720	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.5640	0.000	1	119.6720	1.618	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9250	0.000	1	119.6720	1.618	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	119.0995	0.247	2	119.6720	1.618	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	118.7490	0.000	1	118.7490	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.4240	0.000	1	119.5219	1.107	19	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.5345	1.081	4	119.5219	1.107	19	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.8995	0.965	6	119.5219	1.107	19	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.1196	0.876	8	119.5219	1.107	19	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	121.1670	0.000	1	121.1670	0.000	1	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6360	0.000	1	118.5258	0.781	51	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.6665	0.422	2	118.5258	0.781	51	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4982	0.935	38	118.5258	0.781	51	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	118.3913	0.452	10	118.5258	0.781	51	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.2086	0.882	12	119.3113	0.707	20	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	119.4655	0.808	8	119.3113	0.707	20	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.8610	1.303	4	118.8610	1.699	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9698	0.144	4	119.9698	0.021	4	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	117.7270	1.008	2	117.7270	1.017	2	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1370	0.088	2	118.1705	0.259	65	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1329	0.485	61	118.1705	0.259	65	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	118.3505	0.648	2	118.1705	0.259	65	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6314	0.769	12	117.6314	0.592	12	118.7150	1.109	205	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3805	0.049	2	118.3805	0.002	2	118.3805	0.002	2	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|Se<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	119.2735	0.783	2	119.2735	0.613	2	119.2735	0.613	2	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.1360	0.000	1	120.1360	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.8775	0.790	2	119.8775	0.624	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	121.1480	0.000	1	121.1480	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.4610	0.000	1	120.4610	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	123.4650	0.000	1	123.4650	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.6520	0.000	1	120.6520	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	118.6745	0.077	2	118.6745	0.006	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,3|H<1>}	119.5530	0.000	1	119.0038	2.412	5	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	121.4650	0.000	1	119.0038	2.412	5	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	118.0003	0.365	3	119.0038	2.412	5	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	120.7992	0.545	9	120.8445	0.249	11	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	121.0480	0.109	2	120.8445	0.249	11	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.8290	0.000	1	123.8290	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|O<2>}	121.2570	0.305	2	121.2570	0.093	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4228	0.654	18	121.0724	1.089	26	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	120.5320	0.000	1	121.0724	1.089	26	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	120.3254	1.543	5	121.0724	1.089	26	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.0570	1.756	2	121.0724	1.089	26	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	121.5810	0.000	1	121.5810	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	121.7440	0.000	1	121.7440	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.5740	0.000	1	120.5740	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	119.7310	0.000	1	119.7310	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	119.0630	0.270	4	119.0630	0.073	4	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1740	0.000	1	120.1740	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.0130	0.000	1	121.2560	0.118	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.4990	0.000	1	121.2560	0.118	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.4360	0.000	1	120.4360	0.000	1	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	118.3615	0.499	2	118.3615	0.249	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.6280	0.085	2	122.6280	0.007	2	120.6627	1.692	72	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	115.8695	0.841	4	115.8695	0.707	4	116.2460	1.404	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<4>,1|H<1>,1|N<3>,3|C<3>}	115.2390	0.246	2	115.2390	0.061	2	116.2460	1.404	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	117.9495	1.685	2	117.9495	2.839	2	116.2460	1.404	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<4>,1|H<1>,1|N<3>,3|C<3>}	114.7450	0.000	2	114.7450	0.000	2	116.2460	1.404	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	116.7652	0.552	6	116.7652	0.304	6	116.2460	1.404	16	119.1546	2.485	336	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:As[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	C(N[6]C[6,6a]As[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]As[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	119.5025	0.166	2	119.5025	0.028	2	119.5025	0.028	2	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	118.6330	3.705	2	118.6330	13.729	2	119.8398	3.136	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	120.2575	1.184	4	120.2575	1.402	4	119.8398	3.136	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	120.2110	0.362	2	120.2110	0.131	2	119.8398	3.136	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	121.0600	0.000	1	121.0600	0.000	1	121.1669	0.870	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	119.3220	0.000	1	119.3220	0.000	1	121.1669	0.870	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,3|F<1>}	121.6813	0.544	4	121.6813	0.296	4	121.1669	0.870	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	121.7140	0.000	1	121.7140	0.000	1	121.1669	0.870	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,4|H<1>}	120.5140	0.000	1	120.5140	0.000	1	121.1669	0.870	8	120.3921	2.170	18	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.0180	0.000	1	119.0180	0.000	1	117.7815	3.058	2	117.7815	3.058	2	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.5450	0.000	1	116.5450	0.000	1	117.7815	3.058	2	117.7815	3.058	2	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	C(N[6]C[6,6a]B[6,6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,3|C<3>,3|N<3>}	119.0512	0.107	4	119.0512	0.012	4	119.0512	0.012	4	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	116.1565	0.206	2	116.1565	0.042	2	116.1565	0.042	2	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.6400	0.000	2	117.6400	0.000	2	119.2778	3.389	11	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	121.4530	0.000	1	121.4530	0.000	1	119.2778	3.389	11	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	118.1062	0.344	5	118.1062	0.119	5	119.2778	3.389	11	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.2170	0.000	1	121.2170	0.000	1	119.2778	3.389	11	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	121.7875	0.309	2	121.7875	0.095	2	119.2778	3.389	11	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	116.0178	1.135	15	116.0178	1.288	15	116.3711	3.199	16	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	121.6710	0.000	1	121.6710	0.000	1	116.3711	3.199	16	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.1100	0.000	1	120.1100	0.000	1	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.2800	0.000	1	119.5697	2.301	3	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	121.2410	0.000	1	119.5697	2.301	3	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	119.1880	0.000	1	119.5697	2.301	3	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	119.0950	0.000	1	119.0950	0.000	1	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	119.8500	0.000	1	119.8715	0.001	2	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	119.8930	0.000	1	119.8715	0.001	2	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.3730	1.206	2	121.3730	1.455	2	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	120.0720	0.000	1	119.8010	0.192	4	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	119.9240	0.000	1	119.8010	0.192	4	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	119.6040	0.641	2	119.8010	0.192	4	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	120.9243	0.661	4	120.9243	0.438	4	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	118.0300	0.000	1	118.0300	0.000	1	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.6580	0.000	1	120.7050	0.004	2	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.7520	0.000	1	120.7050	0.004	2	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.7190	0.000	1	121.7190	0.000	1	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.8530	0.000	1	120.8530	0.000	1	120.2416	1.142	22	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	112.6545	0.169	2	112.6545	0.029	2	112.6545	0.029	2	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	119.4600	0.000	1	119.4600	0.000	1	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	121.0120	0.615	6	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	121.1875	0.220	2	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	121.2590	0.000	1	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	121.3660	0.000	1	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	121.4124	0.586	8	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	121.3835	0.424	2	121.2569	0.270	20	121.1713	0.411	21	119.2017	5.871	78	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:2:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:O-2:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	C(N[6]C[6,6a]C[6])(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.0010	0.000	1	118.0010	0.000	1	118.0010	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|C<4>,4|H<1>}	120.9100	0.000	1	120.9100	0.000	1	121.1745	0.140	2	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.4390	0.000	1	121.4390	0.000	1	121.1745	0.140	2	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	122.7280	0.000	1	122.7280	0.000	1	122.7280	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	123.2650	0.000	1	123.2650	0.000	1	123.2650	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	118.5840	0.000	1	118.5840	0.000	1	118.5840	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	119.9800	0.000	1	119.9800	0.000	1	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.4190	0.000	1	120.4190	0.000	1	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	121.0760	0.000	1	121.0760	0.000	1	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	120.9460	0.212	2	120.5884	1.563	7	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	119.7000	0.000	1	120.5884	1.563	7	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.7830	0.000	1	120.5884	1.563	7	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	121.2225	2.405	2	120.5884	1.563	7	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	119.2990	0.000	1	120.5884	1.563	7	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.8990	0.181	2	120.7802	0.032	4	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	120.6615	0.090	2	120.7802	0.032	4	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.4020	0.000	1	119.4020	0.000	1	120.5411	0.831	15	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:N[5]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	122.2045	0.756	2	122.2045	0.571	2	122.2045	0.571	2	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	116.4915	5.317	2	116.4915	28.268	2	116.4915	28.268	2	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	121.9570	0.000	1	121.4730	0.526	3	121.4730	0.526	3	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	121.2310	0.837	2	121.4730	0.526	3	121.4730	0.526	3	120.0643	6.156	32	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	120.0940	0.299	8	120.0940	0.089	8	120.0687	0.053	30	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	120.0595	0.209	22	120.0595	0.044	22	120.0687	0.053	30	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	119.9900	0.000	1	119.9900	0.000	1	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	119.0540	0.000	1	119.0540	0.000	1	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.7920	3.810	3	119.7920	14.519	3	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	115.7160	0.000	1	115.7160	0.000	1	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.9320	0.000	1	120.8025	9.070	2	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	118.6730	0.000	1	120.8025	9.070	2	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.9130	0.000	1	119.9130	0.000	1	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|N<2>,2|O<1>,4|H<1>}	122.7920	0.000	1	122.7920	0.000	1	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	122.5450	1.550	2	122.5450	2.402	2	120.2947	7.354	12	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	117.5270	0.000	1	117.5270	0.000	1	121.6138	6.857	5	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	122.4987	1.779	3	122.4987	3.163	3	121.6138	6.857	5	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	123.0460	0.000	1	123.0460	0.000	1	121.6138	6.857	5	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	120.8885	3.306	2	120.8885	10.928	2	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	120.6530	0.000	1	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){2|C<3>,2|H<1>,3|O<1>}	122.6130	0.000	1	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	120.6210	0.000	1	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	121.2460	0.000	1	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	121.4030	0.021	2	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	121.3930	0.301	2	121.3406	0.389	8	121.2502	1.553	10	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:Si[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH)	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,3|N<3>}	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C){1|Cl<1>,1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	120.4077	2.416	61	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	120.4290	0.000	1	120.9047	0.239	3	120.9047	0.239	3	120.9047	0.239	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	121.1425	0.373	2	120.9047	0.239	3	120.9047	0.239	3	120.9047	0.239	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(N[6]C[6,6a]C[6])(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	3:6:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:Si[3x6]-6:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>,3|O<2>}	117.4860	1.029	3	117.4860	1.059	3	117.4860	1.059	3	117.4860	1.059	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6410	0.000	1	119.5600	2.337	2	120.4668	1.951	4	120.4668	1.951	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.4790	0.000	1	119.5600	2.337	2	120.4668	1.951	4	120.4668	1.951	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|N<3>,4|H<1>}	121.3735	0.476	2	121.3735	0.226	2	120.4668	1.951	4	120.4668	1.951	4	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C-4:	N[6]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.1590	0.000	1	122.1590	0.000	1	122.1590	0.000	1	120.2493	3.023	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	118.7580	0.000	1	118.7580	0.000	1	119.2945	0.576	2	120.2493	3.023	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP2_SP2_SP3	N[6]	C	C[6,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.8310	0.000	1	119.8310	0.000	1	119.2945	0.576	2	120.2493	3.023	3	119.3542	2.846	1071	119.3542	2.846	1071
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:O[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	C(N[6]C[6,6a]O[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]O[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.8170	0.000	1	118.8170	0.000	1	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.9450	0.177	2	118.6331	0.222	14	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9840	0.352	4	118.6331	0.222	14	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.7310	0.375	2	118.6331	0.222	14	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.5958	0.418	6	118.6331	0.222	14	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3645	0.447	14	117.3645	0.200	14	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	117.1210	0.713	2	117.1210	0.508	2	117.9685	0.648	31	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3){1|S<2>,6|C<3>}	C(N[6]C[6,6a]2)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	117.3230	0.709	2	117.3230	0.502	2	117.3230	0.502	2	117.9536	0.648	34	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CC)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.0895	0.043	2	117.0895	0.002	2	117.0895	0.002	2	117.0895	0.002	2	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.1720	0.000	1	120.1720	0.000	1	120.1720	0.000	1	120.1720	0.000	1	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	119.3910	0.000	1	118.7065	0.937	2	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0220	0.000	1	118.7065	0.937	2	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CCHN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1545	1.070	2	119.1545	1.145	2	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	118.2860	0.143	2	118.2860	0.020	2	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.0305	0.232	4	119.0305	0.054	4	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1340	0.033	2	118.1340	0.001	2	118.7237	0.372	12	118.7237	0.372	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:C-4:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C(N[6]C[6,6a]2)(CH3)2(CN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|O<2>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CH3)2(CN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.0925	0.729	2	114.0925	0.531	2	114.0925	0.531	2	114.0925	0.531	2	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	111.7200	2.355	2	111.7200	5.544	2	111.7200	5.544	2	111.7200	5.544	2	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3){4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	115.9915	0.561	2	115.9915	0.314	2	116.8728	0.568	10	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	117.0931	0.639	8	117.0931	0.408	8	116.8728	0.568	10	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.6270	0.000	1	111.6270	0.000	1	111.6270	0.000	1	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	119.2930	0.000	1	119.2930	0.000	1	116.0333	4.865	4	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	114.9467	0.462	3	114.9467	0.214	3	116.0333	4.865	4	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.5570	0.000	1	119.5570	0.000	1	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	117.6030	0.000	1	117.5329	0.341	7	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	117.3120	0.426	5	117.5329	0.341	7	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	118.5670	0.000	1	117.5329	0.341	7	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,3|C<3>,3|H<1>}	119.7300	0.000	1	119.7300	0.000	1	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	119.1900	0.000	1	119.1900	0.000	1	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	119.2440	0.803	2	119.2440	0.645	2	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	120.8100	0.000	1	120.8100	0.000	1	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.6810	0.000	1	116.6810	0.000	1	118.3704	1.682	14	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	112.0940	1.363	2	112.0940	1.859	2	112.7106	1.335	9	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	112.3576	0.844	5	112.3576	0.712	5	112.7106	1.335	9	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	C(N[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|O<2>,3|H<1>,5|C<3>}	114.2095	0.313	2	114.2095	0.098	2	112.7106	1.335	9	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	119.4730	0.000	1	119.4730	0.000	1	120.2373	0.743	4	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	119.5220	0.000	1	119.5220	0.000	1	120.2373	0.743	4	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	120.9770	0.198	2	120.9770	0.039	2	120.2373	0.743	4	116.6060	7.485	43	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6,6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	119.4640	0.000	1	119.4640	0.000	1	120.4580	1.976	2	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(N[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	121.4520	0.000	1	121.4520	0.000	1	120.4580	1.976	2	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	119.7953	0.767	3	119.7953	0.588	3	119.1620	2.726	7	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	118.4030	0.000	1	118.4030	0.000	1	119.1620	2.726	7	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,4|H<1>}	120.2860	0.000	1	120.2860	0.000	1	119.1620	2.726	7	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|P<4>,2|C<3>,3|H<1>}	120.2170	0.000	1	120.2170	0.000	1	119.1620	2.726	7	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	115.8420	0.000	1	115.8420	0.000	1	119.1620	2.726	7	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	118.0260	11.544	12	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,3|C<3>}	117.0210	0.000	1	117.0210	0.000	1	117.1655	0.042	2	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	117.3100	0.000	1	117.3100	0.000	1	117.1655	0.042	2	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	121.5130	0.000	1	121.5130	0.000	1	117.5247	12.418	6	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	114.0240	0.000	1	114.0240	0.000	1	117.5247	12.418	6	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.4790	0.000	1	112.4790	0.000	1	117.5247	12.418	6	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.5480	0.151	2	119.5480	0.023	2	117.5247	12.418	6	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6,6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	118.0360	0.000	1	118.0360	0.000	1	117.5247	12.418	6	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	118.2780	0.000	1	118.2780	0.000	1	117.1360	11.298	5	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	120.1610	0.000	1	120.1610	0.000	1	117.1360	11.298	5	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	120.1340	0.000	1	120.1340	0.000	1	117.1360	11.298	5	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C-4:	N[6]-3:P-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP)	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	113.5535	0.281	2	113.5535	0.079	2	117.1360	11.298	5	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127
856	490	643	0:SP3_SP2_SP3	N[6]	C	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	117.1593	11.034	15	117.3558	6.381	127	117.3558	6.381	127