956	490	542	0:SP2_SP3_SP3	N	C	N[5]	3:4:3:	4:3:4:1:	4:4:3:	N[5]-3:C-4:C-3:	C-4:N-3:C-4:H-1:	C[5]-4:C[5]-4:N-3:	N(N[5]C[5]2)(CCCH)(CCO)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)	N(N[5]C[5]2)(CCCH)(CCO)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC){4|H<1>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5]C[5,6a]O)2(NC[6a]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:3:4:	3:1:1:1:	3:4:3:	N[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:B[5]-4:N-3:	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C)	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C){4|C<3>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:3:4:	3:1:1:1:	4:3:3:	C[6a]-3:N[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C(NC[6a]N[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	N(N[5]C[5,6]C[5])(CCHH)(H)	C(NN[5]H)(CHHO)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	N(N[5]C[5,6]C[5])(CCHH)(H)	C(NN[5]H)(CHHO)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	112.9370	0.068	2	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(N[5]C[5]2)(CCHH)(H)	C(NN[5]H)(CF3)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH)	N(N[5]C[5]2)(CCHH)(H)	C(NN[5]H)(CF3)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH){2|C<3>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	112.9370	0.068	2	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:4:4:	3:1:1:1:	3:3:3:	N[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(N[5]C[5]2)(CH3)2	C(NN[5]C)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(NCC)	N(N[5]C[5]2)(CH3)2	C(NN[5]C)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(NCC){2|H<1>}	112.5125	0.602	2	112.5125	0.362	2	112.5125	0.362	2	112.5125	0.362	2	112.2513	2.434	9	112.2513	2.434	9
956	490	542	0:SP3_SP2_SP3	N	C	N[5]	3:4:4:	3:1:1:1:	4:4:3:	N[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:N-3:	N(N[5]Si[5]2)(CH3)2	C(NN[5]C)(H)3	N[5](Si[5]C[5]HH)2(NCC)	N(N[5]Si[5]2)(CH3)2	C(NN[5]C)(H)3	N[5](Si[5]C[5]HH)2(NCC){4|H<1>}	109.7320	0.371	2	109.7320	0.137	2	109.7320	0.137	2	109.7320	0.137	2	112.2513	2.434	9	112.2513	2.434	9
956	490	562	0:SP2_SP3_SP3	N	C	Si[5]	4:3:4:	3:4:4:1:	4:4:3:3:	Si[5]-4:C-3:C-4:	N-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:N-3:	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(NSi[5]C)(CH3)2(H)	Si[5](C[5]C[5]HH)2(NCC)2	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(NSi[5]C)(CH3)2(H)	Si[5](C[5]C[5]HH)2(NCC)2{2|C<4>}	119.4240	0.270	2	119.4240	0.073	2	119.7893	0.282	4	119.7893	0.282	4	119.8732	0.247	5	119.8732	0.247	5
956	490	562	0:SP2_SP3_SP3	N	C	Si[5]	4:3:4:	3:4:4:1:	4:4:3:3:	Si[5]-4:C-3:C-4:	N-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:N-3:	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(NSi[5]C)(CH3)2(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(NSi[5]C)(CH3)2(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	120.1545	0.490	2	120.1545	0.240	2	119.7893	0.282	4	119.7893	0.282	4	119.8732	0.247	5	119.8732	0.247	5
956	490	562	0:SP2_SP3_SP3	N	C	Si[5]	4:4:4:	3:4:4:4:	3:2:3:2:	Si[5]-4:Si-4:C-4:	N-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:N-3:N-2:	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi)	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi){2|C<3>}	120.2090	0.000	1	120.2090	0.000	1	120.2090	0.000	1	120.2090	0.000	1	119.8732	0.247	5	119.8732	0.247	5
956	490	562	0:SP3_SP3_SP3	N	C	Si[5]	4:4:4:	3:3:1:1:	4:4:3:1:	Si[5]-4:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	N(Si[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NSi[5]C)(H)2	Si[5](C[5]C[5]Si2)2(NCC)(H)	N(Si[5]C[5]2H)(CC[6a]HH)2	C(C[6a]C[6a]2)(NSi[5]C)(H)2	Si[5](C[5]C[5]Si2)2(NCC)(H){4|H<1>}	119.1040	4.356	2	119.1040	18.973	2	119.1040	18.973	2	119.1040	18.973	2	119.2260	9.531	3	119.2260	9.531	3
956	490	562	0:SP3_SP3_SP3	N	C	Si[5]	4:4:4:	3:4:4:4:	3:2:3:3:	Si[5]-4:Si-4:C-4:	N-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:N-3:N-3:	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	C(NSi[5]Si)(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.2260	9.531	3	119.2260	9.531	3
956	490	598	0:SP2_SP2_SP3	N	C	Si[4]	3:4:4:	3:1:1:1:	3:3:3:	Si[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(Si[4]N[4]2)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[4]C)2(NCC)	N(Si[4]N[4]2)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[4]C)2(NCC){1|C<3>}	123.3787	2.228	4	123.3787	4.963	4	123.4582	8.148	6	123.4582	8.148	6	123.1786	6.866	8	123.1786	6.866	8
956	490	598	0:SP2_SP2_SP3	N	C	Si[4]	3:4:4:	3:1:1:1:	3:3:3:	Si[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(Si[4]N[4]2)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)	N(Si[4]N[4]2)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC){5|C<3>}	123.6170	5.077	2	123.6170	25.776	2	123.4582	8.148	6	123.4582	8.148	6	123.1786	6.866	8	123.1786	6.866	8
956	490	598	0:SP2_SP2_SP3	N	C	Si[4]	3:4:4:	3:4:4:1:	3:3:3:	Si[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(Si[4]N[4]2)(CCCH)2	C(NSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(NCC)	N(Si[4]N[4]2)(CCCH)2	C(NSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(NCC){1|C<3>}	122.3400	2.333	2	122.3400	5.445	2	122.3400	5.445	2	122.3400	5.445	2	123.1786	6.866	8	123.1786	6.866	8
956	490	610	0:SP2_SP3_SP3	N	C	B	3:4:4:	3:3:1:1:	3:1:1:1:	C[6]-3:C-4:B-4:	C[6a]-3:N-3:H-1:H-1:	N-3:F-1:F-1:F-1:	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C(C[6a]C[6a]2)(NC[6]B)(H)2	B(NC[6]C)(F)3	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C(C[6a]C[6a]2)(NC[6]B)(H)2	B(NC[6]C)(F)3	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP2_SP3_SP3	N	C	B	3:4:4:	3:4:4:1:	3:1:1:1:	C[6]-3:C-4:B-4:	N-3:C-4:C-4:H-1:	N-3:H-1:H-1:H-1:	N(C[6]N[6]2)(CCCH)(BH3)	C(NC[6]B)(CH3)2(H)	B(NC[6]C)(H)3	N(C[6]N[6]2)(CCCH)(BH3)	C(NC[6]B)(CH3)2(H)	B(NC[6]C)(H)3	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP2_SP3_SP3	N	C	B	4:3:4:	4:3:1:1:	3:3:3:3:	B-4:C-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(BC[6a]3)(CC[6a]H)(CCHH)	C(CCHH)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	N(BC[6a]3)(CC[6a]H)(CCHH)	C(CCHH)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP2_SP3_SP3	N	C	B	4:4:3:	3:3:1:1:	3:3:3:3:	C-4:B-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	110.5150	0.000	1	110.5150	0.000	1	112.3870	7.009	2	112.3870	7.009	2	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP2_SP3_SP3	N	C	B	4:4:3:	3:3:1:1:	3:3:3:3:	C-4:B-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	114.2590	0.000	1	114.2590	0.000	1	112.3870	7.009	2	112.3870	7.009	2	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP2_SP3_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:2:	B-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:C-2:	N(BC[6a]2C)(CCCH)(CHN)	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)2(NCC)(CC)	N(BC[6a]2C)(CCCH)(CHN)	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)2(NCC)(CC)	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	116.0575	14.934	6	116.0575	14.934	6
956	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:	4:3:1:1:	3:3:3:3:	B-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(BC[6a]3)(CCHH)2	C(CH3)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	N(BC[6a]3)(CCHH)2	C(CH3)(NBC)(H)2	B(C[6a]C[6a]2)3(NCC)	111.4677	0.758	4	111.4677	0.574	4	111.4677	0.574	4	111.4677	0.574	4	111.4677	0.574	4	111.4677	0.574	4
956	490	618	0:SP2_SP2_SP3	N	C	B[6,6]	3:3:4:	3:4:4:1:	4:4:3:	B[6,6]-3:C[4]-3:C-4:	N-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	C(NB[6,6]C[4])(CH3)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[4]C)	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	C(NB[6,6]C[4])(CH3)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[4]C){2|C<4>,8|H<1>}	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	126.3275	0.143	2	124.2905	5.595	11	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6,6]	3:3:4:	3:4:4:1:	4:4:3:	B[6,6]-3:C[5a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	C(NB[6,6]C[5a])(CH3)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[5a]C)	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	C(NB[6,6]C[5a])(CH3)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[5a]C){2|C<4>,8|H<1>}	126.5950	0.000	1	126.5950	0.000	1	126.5950	0.000	1	126.3275	0.143	2	124.2905	5.595	11	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6,6]	3:4:4:	3:1:1:1:	4:3:3:	B[6,6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[3x6]-4:B[6,6]-3:N-3:	N(B[6,6]B[6,6]C[3x6])(CH3)2	C(NB[6,6]C)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC)	N(B[6,6]B[6,6]C[3x6])(CH3)2	C(NB[6,6]C)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC){1|H<1>,4|C<3>}	124.3887	0.816	6	124.3887	0.667	6	124.3887	0.667	6	124.3887	0.667	6	124.2905	5.595	11	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6,6]	3:4:4:	3:1:1:1:	4:4:3:	B[6,6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[3x6]-4:B[6,6]-4:N-3:	N(B[6,6]B[6,6]C[3x6])(CH3)2	C(NB[6,6]C)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC)	N(B[6,6]B[6,6]C[3x6])(CH3)2	C(NB[6,6]C)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC){1|H<1>,4|C<3>}	124.9500	2.732	2	124.9500	7.465	2	124.9500	7.465	2	122.7363	18.434	3	124.2905	5.595	11	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6,6]	3:4:4:	3:1:1:1:	4:4:3:	B[6,6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-3:	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	C(NB[6,6]P)(H)3	B[6,6](C[6,6]C[6]2H)2(NCP)	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	C(NB[6,6]P)(H)3	B[6,6](C[6,6]C[6]2H)2(NCP){2|C<4>,8|H<1>}	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	122.7363	18.434	3	124.2905	5.595	11	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6]	3:4:4:	3:1:1:1:	3:3:3:	B[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6]-3:B[6]-3:N-3:	N(B[6]C[5a,6]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC)	N(B[6]C[5a,6]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](C[5a,6]C[5a,6]C[5a])(B[6]C[5a,6]N)(NCC){1|H<1>,1|S<2>,3|C<3>}	124.8377	1.845	3	124.8377	3.404	3	124.8377	3.404	3	124.3664	5.206	11	122.7018	8.772	17	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6]	3:4:4:	3:1:1:1:	3:3:3:	B[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6,6]-3:B[6]-3:N-3:	N(B[6]N[6,6]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC)	N(B[6]N[6,6]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	123.9895	2.343	2	123.9895	5.488	2	123.9895	5.488	2	124.3664	5.206	11	122.7018	8.772	17	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6]	3:4:4:	3:1:1:1:	3:3:3:	B[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6,6a]-3:B[6]-3:N-3:	N(B[6]N[6,6a]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC)	N(B[6]N[6,6a]B[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	123.7550	2.489	2	123.7550	6.195	2	123.7550	6.195	2	124.3664	5.206	11	122.7018	8.772	17	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6]	3:4:4:	3:1:1:1:	3:3:3:	B[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:B[6]-3:N-3:	N(B[6]B[6]N[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC)	N(B[6]B[6]N[6])(CH3)2	C(NB[6]C)(H)3	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	124.5070	3.256	4	124.5070	10.598	4	124.5070	10.598	4	124.3664	5.206	11	122.7018	8.772	17	123.3260	7.894	28
956	490	618	0:SP2_SP2_SP3	N	C	B[6]	3:4:4:	3:4:4:1:	3:3:3:	B[6]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:N-3:	N(B[6]N[6]2)(CCCH)2	C(NB[6]C)(CH3)2(H)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	N(B[6]N[6]2)(CCCH)2	C(NB[6]C)(CH3)2(H)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	119.6502	0.621	6	119.6502	0.386	6	119.6502	0.386	6	119.6502	0.386	6	122.7018	8.772	17	123.3260	7.894	28
956	490	643	0:SP2_SP2_SP2	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NNb[5])(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NNb[5])(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NC[5])(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|H<1>}	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	121.4601	2.438	27	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	120.0880	0.000	1	121.1871	1.009	22	121.1871	1.009	22	121.4601	2.438	27	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	121.3821	0.760	19	121.1871	1.009	22	121.1871	1.009	22	121.4601	2.438	27	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	119.8845	2.337	2	121.1871	1.009	22	121.1871	1.009	22	121.4601	2.438	27	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	C(NC[6a]N)(H)3	C[6a](N[6a]C[6a])2(NCN)	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	C(NC[6a]N)(H)3	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	123.9290	0.633	4	123.9290	0.400	4	123.9290	0.400	4	121.4601	2.438	27	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	118.4195	1.324	2	118.4195	1.754	2	118.4195	1.754	2	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	122.1800	0.606	3	122.1800	0.367	3	122.1800	0.367	3	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	122.6848	2.348	4	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.6656	0.765	13	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	117.3820	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	117.7310	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	117.4597	0.836	3	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	119.2400	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.9380	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	116.4310	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	117.8270	0.000	1	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	118.9813	0.845	4	118.9415	3.561	30	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	120.3058	1.125	63	120.3640	1.309	66	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	120.4550	0.000	1	120.3640	1.309	66	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	122.2940	0.000	1	120.3640	1.309	66	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	122.0100	0.000	1	120.3640	1.309	66	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.9305	1.214	2	117.8346	1.084	7	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	116.4810	0.000	1	117.8346	1.084	7	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	117.1850	0.000	1	117.8346	1.084	7	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.4000	0.000	1	117.8346	1.084	7	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	118.9575	0.223	2	117.8346	1.084	7	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.6690	0.000	1	117.6690	0.000	1	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	116.5393	1.221	3	116.5393	1.491	3	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.2037	1.658	4	117.2037	2.748	4	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.3590	0.689	2	117.3590	0.474	2	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.5372	1.731	142	118.5487	2.845	154	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	118.6855	1.077	12	118.5487	2.845	154	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.8920	0.000	1	116.8920	0.000	1	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	120.1069	1.118	16	120.1069	1.249	16	119.0248	3.132	284	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	123.2355	1.135	4	123.2355	1.288	4	123.2355	1.288	4	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C(NC[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C(NC[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	119.5020	0.000	1	119.5020	0.000	1	119.5020	0.000	1	119.1009	3.384	296	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[4a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[4a]C)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|C<3>,2|H<1>}	118.4742	0.936	4	118.7467	0.792	6	118.7467	0.792	6	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[4a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[4a]C)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|H<1>,2|C<3>}	119.2915	0.665	2	118.7467	0.792	6	118.7467	0.792	6	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	115.5850	0.000	1	115.5850	0.000	1	117.7163	2.150	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	118.3815	0.619	2	118.3815	0.383	2	117.7163	2.150	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C)	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	118.5170	0.000	1	118.5170	0.000	1	117.7163	2.150	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C){1|C<3>,2|H<1>}	118.5650	0.000	1	118.5650	0.000	1	119.3415	0.390	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	119.5540	0.594	2	119.6003	0.183	3	119.3415	0.390	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|Cl<1>,1|C<3>,1|H<1>}	119.6930	0.000	1	119.6003	0.183	3	119.3415	0.390	4	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	116.6900	0.000	1	116.6900	0.000	1	117.7762	1.300	10	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	117.8230	2.821	2	117.8426	2.414	5	117.7762	1.300	10	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	117.8557	0.920	3	117.8426	2.414	5	117.7762	1.300	10	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	117.9650	0.164	2	117.9650	0.027	2	117.7762	1.300	10	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	117.9645	0.820	2	117.9645	0.672	2	117.7762	1.300	10	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:B-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BClFe)(CH3)	C(NC[6a]B)(H)3	C[6a](C[6a]C[6a]H)2(NBC)	N(C[6a]C[6a]2)(BClFe)(CH3)	C(NC[6a]B)(H)3	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	111.7175	0.005	2	111.7175	0.000	2	111.7175	0.000	2	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:B[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	C(NC[6a]B[5])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C)	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	C(NC[6a]B[5])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C){1|P<3>,2|C<3>,2|H<1>}	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	115.9740	0.000	1	115.9740	0.000	1	115.9740	0.000	1	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	118.1430	0.000	1	118.1430	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	113.0440	0.966	2	113.0440	0.933	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.2880	0.000	1	117.2880	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.1470	0.000	1	121.1470	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4550	0.000	1	117.4550	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.8400	0.000	1	117.8400	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.0877	1.022	7	116.3647	1.358	9	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	117.3340	1.476	2	116.3647	1.358	9	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	117.7380	0.000	1	117.7380	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9166	0.398	8	116.9166	0.159	8	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.4190	0.000	1	115.4190	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|Br<1>,1|C<3>,1|H<1>}	116.1565	0.087	2	116.1565	0.008	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.8355	1.778	2	116.8355	3.163	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.6095	2.420	2	115.6095	5.858	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.6215	1.873	6	117.6215	3.509	6	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.4290	0.000	1	119.4290	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.2050	0.000	1	117.2050	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.8910	1.254	4	116.8910	1.572	4	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	117.3140	0.848	3	117.3140	0.719	3	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.4207	0.572	25	116.4207	0.327	25	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	116.0930	0.000	1	116.9735	1.551	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.8540	0.000	1	116.9735	1.551	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.4511	1.608	36	116.4441	2.127	48	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	116.4231	0.930	12	116.4441	2.127	48	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	117.2145	0.914	2	117.2145	0.836	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.4370	0.149	3	116.4370	0.022	3	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CFe2)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CFe2)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	113.3830	0.000	1	113.3830	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CFeC)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CFeC)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	116.4980	1.511	4	116.4980	2.283	4	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CIrN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CIrN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	112.6646	1.752	5	112.6646	3.071	5	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CIrO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CIrO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	123.0970	0.000	1	123.0970	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CMgO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CMgO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.8520	0.000	1	116.8520	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CPdO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CPdO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	123.3330	0.000	1	123.3330	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CRhN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CRhN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	110.8885	2.068	2	110.8885	4.278	2	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CRhO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CRhO)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	120.3200	0.000	1	120.3200	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CRuH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CRuH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.8350	0.000	1	116.8350	0.000	1	116.4947	3.562	144	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C)	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	115.7850	0.539	2	115.7850	0.290	2	115.7850	0.290	2	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	114.9550	0.000	1	114.9550	0.000	1	116.1745	2.974	2	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C){1|H<1>,3|C<3>}	117.3940	0.000	1	117.3940	0.000	1	116.1745	2.974	2	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.9463	0.200	3	117.9463	0.040	3	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|C<4>}	118.8420	0.000	1	119.2880	0.398	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.7340	0.000	1	119.2880	0.398	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.4160	1.032	3	116.4191	1.098	24	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.7230	1.483	5	116.4191	1.098	24	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<3>,2|C<3>}	116.1372	0.801	16	116.4191	1.098	24	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	120.6230	0.615	2	120.6230	0.378	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	119.8855	0.981	2	119.8855	0.962	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	114.9040	3.390	5	114.9040	11.489	5	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	111.5060	0.897	2	111.5060	0.804	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	113.8150	1.394	2	113.8150	1.944	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.4123	1.320	4	118.0940	1.861	13	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.9526	1.437	9	118.0940	1.861	13	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.2065	0.586	2	117.2065	0.344	2	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	117.0500	0.000	1	117.0500	0.000	1	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	118.3802	1.133	6	118.3802	1.284	6	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	117.9382	0.503	4	116.8213	1.436	21	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.4363	1.080	8	116.8213	1.436	21	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	115.7782	0.497	9	116.8213	1.436	21	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.4162	1.007	5	118.4162	1.014	5	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.8145	0.817	10	117.5847	0.584	18	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|N<3>,2|C<3>}	117.2974	0.624	8	117.5847	0.584	18	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.1976	1.340	20	116.9970	3.216	46	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.0734	1.544	26	116.9970	3.216	46	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	118.1017	0.824	3	118.2484	1.241	7	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	118.3585	1.411	4	118.2484	1.241	7	117.1495	3.236	161	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NCuC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NCuC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.3560	0.000	1	120.3560	0.000	1	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NFeC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NFeC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	119.0340	0.000	1	119.0340	0.000	1	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NNiC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NNiC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.5940	0.000	1	121.5940	0.000	1	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NPdC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(NPdC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	121.3390	0.000	1	121.3390	0.000	1	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NPdO)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN)	N(C[6a]C[6a]2)(NPdO)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN){1|C<3>,1|C<4>,1|H<1>}	130.0785	1.248	2	130.0785	1.558	2	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NRhO)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(NRhO)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	124.5055	0.101	2	124.5055	0.010	2	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NTiC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NTiC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	122.0900	0.000	1	122.0900	0.000	1	123.7312	16.223	9	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP)	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP){1|C<3>,2|H<1>}	116.3580	1.096	2	116.3580	1.201	2	116.3580	1.201	2	117.0730	5.005	349	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:2:3:	C[5a]-3:C[6a]-3:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C(NC[5a]C[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C(NC[5a]C[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	119.8325	0.090	2	119.8325	0.008	2	119.8325	0.008	2	119.8325	0.008	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C(NC[5a]C[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C(NC[5a]C[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	122.4500	2.271	2	122.4500	5.158	2	122.4500	5.158	2	118.3412	6.092	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:B[5]-3:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(B[5]O[5]2)(CHHO)	C(NC[6a]B[5])(OB[5])(H)2	C[6a](C[6a]C[6a]C)2(NB[5]C)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHHO)	C(NC[6a]B[5])(OB[5])(H)2	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	117.0390	0.465	2	117.0390	0.216	2	117.0390	0.216	2	118.3412	6.092	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.8370	0.218	2	118.8370	0.047	2	118.8370	0.047	2	118.3412	6.092	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.6900	0.534	4	116.6900	0.285	4	116.6900	0.285	4	118.3412	6.092	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	121.7951	1.552	8	121.7951	2.410	8	121.7951	2.410	8	120.6092	4.273	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	120.8265	0.588	2	119.0280	2.485	6	119.0280	2.485	6	120.6092	4.273	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	118.1287	0.890	4	119.0280	2.485	6	119.0280	2.485	6	120.6092	4.273	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	119.0210	0.000	1	119.0210	0.000	1	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	115.4150	0.000	1	117.4205	8.044	2	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	119.4260	0.000	1	117.4205	8.044	2	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.4570	0.000	1	118.4112	0.669	18	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.4148	0.870	16	118.4112	0.669	18	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	118.3080	0.000	1	118.4112	0.669	18	118.3459	1.083	21	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.6590	0.000	1	119.6590	0.000	1	118.6707	0.873	3	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.8020	0.000	1	118.1765	0.281	2	118.6707	0.873	3	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	118.5510	0.000	1	118.1765	0.281	2	118.6707	0.873	3	118.3685	0.995	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.2050	0.000	1	119.2050	0.000	1	119.2050	0.000	1	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.8650	0.000	1	118.8650	0.000	1	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.2705	0.156	2	116.2705	0.024	2	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	117.7730	0.000	1	117.7730	0.000	1	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.0485	1.047	2	116.0485	1.097	2	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	118.8930	0.000	1	118.8930	0.000	1	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	117.7210	0.770	3	117.7210	0.593	3	117.3332	1.477	10	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[4]HH)	C(C[4]C[4]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[4]HH)	C(C[4]C[4]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.0240	2.379	2	116.0240	5.658	2	116.0240	5.658	2	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.4500	2.746	2	118.4500	7.543	2	118.4500	7.543	2	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.9116	0.935	8	117.9116	0.875	8	118.4156	3.096	19	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	119.4587	1.786	8	119.4587	3.189	8	118.4156	3.096	19	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.0040	2.003	2	118.0040	4.010	2	118.4156	3.096	19	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	114.9250	0.000	1	114.9250	0.000	1	118.4156	3.096	19	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.7363	0.576	6	118.7363	0.332	6	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.7880	3.261	2	118.7880	10.635	2	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	117.3700	0.000	1	117.3700	0.000	1	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.8170	0.000	1	120.8170	0.000	1	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.7890	2.660	2	118.7890	7.076	2	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.8540	0.000	1	117.8540	0.000	1	118.7395	2.196	13	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHN)	C(NC[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHN)	C(NC[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.9120	2.243	4	118.9120	5.032	4	118.9120	5.032	4	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.8200	0.959	4	119.8200	0.919	4	119.8200	0.919	4	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	118.4627	3.025	58	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-3:C-3:F-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCCF)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCCF)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	122.4775	0.607	2	122.4775	0.369	2	120.1917	2.258	12	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	120.0868	1.354	6	120.0868	1.833	6	120.1917	2.258	12	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	119.1337	0.649	3	119.2062	0.302	4	120.1917	2.258	12	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	119.4240	0.000	1	119.2062	0.302	4	120.1917	2.258	12	120.1266	3.632	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	B[5a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	C(NB[5a]C[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NB[5a]C)	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	C(NB[5a]C[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NB[5a]C){1|C<3>,2|H<1>}	115.0145	2.724	2	115.0145	7.423	2	115.0145	7.423	2	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.9983	0.081	3	117.9983	0.007	3	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.5220	0.000	1	116.5220	0.000	1	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.9390	0.000	1	114.9390	0.000	1	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	116.7923	0.815	3	116.9537	1.600	13	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.0021	1.405	10	116.9537	1.600	13	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	116.8690	1.085	2	116.8690	1.177	2	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.9300	0.543	2	117.9300	0.295	2	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	116.3570	0.000	1	116.3570	0.000	1	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.5356	0.931	8	116.5356	0.866	8	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.7660	0.000	1	119.7660	0.000	1	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.5770	0.000	1	117.5770	0.000	1	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,2|C<3>}	117.4778	0.726	6	117.3517	0.607	42	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7295	0.821	10	117.3517	0.607	42	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|C<3>}	117.5250	1.157	2	117.3517	0.607	42	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	117.0771	0.721	21	117.3517	0.607	42	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	117.6470	0.710	3	117.3517	0.607	42	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.1520	3.702	2	113.1520	13.708	2	117.0976	1.563	77	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.3080	0.000	1	117.3080	0.000	1	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.2790	2.034	2	117.2790	4.136	2	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.6100	0.464	7	116.7108	0.289	9	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	116.4720	0.000	1	116.7108	0.289	9	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	117.6550	0.000	1	116.7108	0.289	9	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.1367	1.652	3	120.1367	2.729	3	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	121.2943	0.938	3	121.2943	0.879	3	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	120.4370	0.000	1	120.4370	0.000	1	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.2432	2.730	6	117.2432	7.452	6	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.5865	2.133	2	118.5865	4.551	2	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCCF)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCCF)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	116.8210	0.533	2	116.8210	0.284	2	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.2667	1.805	7	116.2667	3.257	7	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.1078	2.430	4	116.1078	5.905	4	117.4891	4.962	40	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C(NC[6a]2)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C(NC[6a]2)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.3745	0.278	2	119.3745	0.077	2	119.3745	0.077	2	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	118.4025	0.210	2	118.4025	0.044	2	118.4025	0.044	2	117.2998	2.955	125	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C(NC[6a]C[6])(CH3)2(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C(NC[6a]C[6])(CH3)2(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	120.5555	0.517	2	120.5555	0.267	2	120.5555	0.267	2	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.0730	0.000	1	119.0730	0.000	1	118.5544	0.670	5	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.3410	0.000	1	119.3410	0.000	1	118.5544	0.670	5	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	117.2820	0.000	1	117.2820	0.000	1	118.5544	0.670	5	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.5380	0.417	2	118.5380	0.174	2	118.5544	0.670	5	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C){1|H<1>,4|C<3>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.4130	0.000	1	120.4130	0.000	1	119.5617	1.762	3	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	120.2400	0.000	1	120.2400	0.000	1	119.5617	1.762	3	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCCH)	C(NC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.0320	0.000	1	118.0320	0.000	1	119.5617	1.762	3	119.1847	1.329	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	B-3:C[6a]-3:C-4:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C(NC[6a]B)(CH3)3	C[6a](C[6a]C[6a]C)2(NBC)	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C(NC[6a]B)(CH3)3	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(CN[6]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(CN[6]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.5835	0.260	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:2:3:	C[6a]-3:P-3:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C(PC[6a]2N)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C(PC[6a]2N)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	117.5835	0.260	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	118.9070	0.000	1	118.9070	0.000	1	117.6510	3.155	2	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[5a]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.3950	0.000	1	116.3950	0.000	1	117.6510	3.155	2	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]CH)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]CH)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.2062	1.843	4	119.2062	3.397	4	119.0597	2.110	6	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.7665	0.316	2	118.7665	0.100	2	119.0597	2.110	6	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	117.0910	0.000	1	117.0910	0.000	1	119.2555	9.370	2	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.4200	0.000	1	121.4200	0.000	1	119.2555	9.370	2	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Co)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Co)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.2463	2.271	6	119.2463	5.159	6	119.2463	5.159	6	118.9781	3.534	16	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	123.4410	0.000	1	123.4233	1.360	7	123.4233	1.360	7	123.4233	1.360	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	125.4580	0.000	1	123.4233	1.360	7	123.4233	1.360	7	123.4233	1.360	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	123.0128	0.892	5	123.4233	1.360	7	123.4233	1.360	7	123.4233	1.360	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	124.6640	0.000	1	124.6640	0.000	1	124.6640	0.000	1	124.6640	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0020	0.433	2	123.0020	0.187	2	123.0020	0.187	2	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.5445	0.595	2	122.7533	0.308	3	122.7533	0.308	3	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	123.1710	0.000	1	122.7533	0.308	3	122.7533	0.308	3	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	122.3120	0.181	2	122.3120	0.033	2	122.3120	0.033	2	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	122.5090	0.000	1	122.5090	0.000	1	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	123.6760	0.000	1	123.2035	0.447	2	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	122.7310	0.000	1	123.2035	0.447	2	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.8607	0.870	4	123.7386	0.643	5	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	123.2500	0.000	1	123.7386	0.643	5	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	123.3620	0.000	1	123.3620	0.000	1	123.4412	0.556	9	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	122.9155	0.813	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.7880	0.000	1	122.7880	0.000	1	122.3893	1.303	3	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	122.1900	1.539	2	122.1900	2.367	2	122.3893	1.303	3	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	N(C[6a]C[6,6,6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH)	N(C[6a]C[6,6,6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH){2|C<4>,2|H<1>,5|C<3>}	124.3010	0.000	1	124.3010	0.000	1	124.3010	0.000	1	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.3870	0.000	1	122.3870	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	123.0060	0.000	1	122.9855	0.001	2	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	122.9650	0.000	1	122.9855	0.001	2	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	122.2760	0.000	1	122.2760	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	124.5740	0.000	1	124.5740	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	121.8030	0.000	1	121.8030	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	121.9793	2.776	3	121.9793	7.706	3	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.8058	1.277	21	122.8117	1.439	24	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	122.8533	0.493	3	122.8117	1.439	24	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	124.2245	1.337	2	124.2970	3.564	4	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]F)2(NCH){1|Fe<6>,1|C<3>,1|F<1>}	124.3695	2.980	2	124.2970	3.564	4	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	123.3990	0.160	2	123.4231	1.053	11	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.4284	1.146	9	123.4231	1.053	11	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	122.0403	0.586	12	122.0403	0.344	12	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	123.6070	0.000	1	122.9939	2.589	16	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.1046	1.608	14	122.9939	2.589	16	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	120.8300	0.000	1	122.9939	2.589	16	122.8707	1.816	78	122.8608	1.814	85	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.4075	1.684	2	123.4075	2.835	2	119.7697	41.119	3	119.7697	41.119	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	112.4940	0.000	1	112.4940	0.000	1	119.7697	41.119	3	119.7697	41.119	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.7700	0.000	1	125.7700	0.000	1	125.7700	0.000	1	125.7700	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[5]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[5]HH)(H)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[5]HH)(H)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	123.0870	0.000	1	123.0870	0.000	1	123.0870	0.000	1	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	121.6630	0.000	1	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	122.6980	0.194	2	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	123.2501	1.306	11	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	123.7960	0.000	1	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	123.5700	0.525	2	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	121.4740	0.000	1	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	123.2550	0.000	1	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	125.1545	1.003	2	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	123.8710	1.345	11	123.4802	1.712	32	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	122.5910	0.000	1	123.1180	0.391	7	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	123.2058	0.636	6	123.1180	0.391	7	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]N[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	123.8900	0.000	1	123.8900	0.000	1	123.4270	1.446	40	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	121.3455	0.939	4	121.5124	1.745	9	121.5124	1.745	9	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	121.1280	2.131	3	121.5124	1.745	9	121.5124	1.745	9	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	122.4230	0.146	2	121.5124	1.745	9	121.5124	1.745	9	123.0756	1.985	50	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	125.5640	0.000	1	125.5640	0.000	1	124.3600	0.699	4	123.5832	2.653	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	124.2840	0.000	1	124.2840	0.000	1	124.3600	0.699	4	123.5832	2.653	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	123.7960	0.064	2	123.7960	0.004	2	124.3600	0.699	4	123.5832	2.653	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	123.5832	2.653	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.5832	2.653	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5]-3:N-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C(C[5]C[5]O[5])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C(C[5]C[5]O[5])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.8620	0.000	1	123.8620	0.000	1	123.8620	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	122.4120	0.000	1	122.4120	0.000	1	121.8560	0.618	2	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	121.3000	0.000	1	121.3000	0.000	1	121.8560	0.618	2	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.7140	0.000	1	124.7140	0.000	1	124.7140	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	123.4085	0.363	2	123.4085	0.132	2	123.4646	0.761	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3270	0.000	1	123.5020	1.451	3	123.4646	0.761	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	124.0895	0.911	2	123.5020	1.451	3	123.4646	0.761	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9107	0.783	6	123.0036	0.891	13	123.0891	0.815	15	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	122.8570	0.000	1	123.0036	0.891	13	123.0891	0.815	15	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	122.0250	0.000	1	123.0036	0.891	13	123.0891	0.815	15	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	123.3402	1.227	5	123.0036	0.891	13	123.0891	0.815	15	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	123.6450	0.040	2	123.6450	0.002	2	123.0891	0.815	15	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	123.6035	0.603	2	123.6035	0.364	2	123.5538	3.070	4	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	123.5040	2.973	2	123.5040	8.837	2	123.5538	3.070	4	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	122.6170	0.896	4	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.0270	0.000	1	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	124.8380	0.726	3	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	123.3610	0.000	1	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	124.2163	0.692	3	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	124.1165	2.275	2	123.6609	1.709	14	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	122.3230	0.945	3	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	124.7700	0.000	1	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	124.0200	1.409	10	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	123.9537	1.330	3	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.1440	0.940	7	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	121.1120	0.000	1	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	122.9260	0.000	1	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	123.6630	0.000	1	123.4633	1.712	27	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	124.0720	0.624	2	124.2483	0.456	6	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	124.9220	0.219	2	124.2483	0.456	6	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	124.1850	0.000	1	124.2483	0.456	6	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	123.3170	0.000	1	124.2483	0.456	6	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	123.9080	0.000	1	123.9080	0.000	1	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.8570	0.000	1	123.8570	0.000	1	123.6330	1.504	49	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	122.6890	0.000	1	122.6890	0.000	1	122.3550	0.200	3	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	122.1880	0.482	2	122.1880	0.233	2	122.3550	0.200	3	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	123.4930	0.000	1	123.4930	0.000	1	123.3530	1.087	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	123.6450	0.000	1	123.6450	0.000	1	123.3530	1.087	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	123.5845	1.826	2	123.5845	3.336	2	123.3530	1.087	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	122.4580	0.000	1	122.4580	0.000	1	123.3530	1.087	5	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	122.8730	0.000	1	122.8730	0.000	1	122.3010	0.401	7	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	122.2057	0.636	6	122.2057	0.405	6	122.3010	0.401	7	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHN)(H)	C(NC[6a]H)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C(NC[6a]H)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.2410	0.990	2	123.2410	0.980	2	123.2410	0.980	2	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.0520	0.000	1	123.0520	0.000	1	123.0520	0.000	1	123.3388	1.318	98	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.6720	0.000	1	120.6720	0.000	1	122.4175	1.665	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.2110	0.000	1	122.2110	0.000	1	122.4175	1.665	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.3935	0.026	2	123.3935	0.001	2	122.4175	1.665	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]N[5]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.4920	0.000	1	122.4920	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	122.5890	0.000	1	122.5890	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	123.4880	0.000	1	123.4880	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.2200	0.000	1	121.2200	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	124.3800	0.860	21	124.3800	0.739	21	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.3070	0.000	1	121.3070	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.7450	0.000	1	122.7450	0.000	1	123.9193	1.490	27	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.9650	0.000	1	123.9650	0.000	1	123.5687	2.654	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.7780	0.000	1	121.7780	0.000	1	123.5687	2.654	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.9630	0.000	1	124.9630	0.000	1	123.5687	2.654	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	B[6a]-3:C[6a]-3:N-3:	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.1570	0.000	1	127.1570	0.000	1	127.1570	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.6430	1.154	2	124.6430	1.332	2	124.6430	1.332	2	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.7355	2.699	2	123.7355	7.285	2	123.6333	3.674	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.4290	0.000	1	123.4290	0.000	1	123.6333	3.674	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	125.7830	0.000	1	125.7830	0.000	1	125.1830	0.288	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	125.0180	0.000	1	125.0180	0.000	1	125.1830	0.288	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	124.7480	0.000	1	124.7480	0.000	1	125.1830	0.288	3	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	122.4070	0.000	1	122.4070	0.000	1	127.1800	31.232	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<2>,3|C<3>}	132.3850	0.000	1	132.0125	0.278	2	127.1800	31.232	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	131.6400	0.000	1	132.0125	0.278	2	127.1800	31.232	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	122.2880	0.000	1	122.2880	0.000	1	127.1800	31.232	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|F<1>,1|N<2>,1|N<3>}	126.2240	0.000	1	126.2240	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.1050	0.346	2	124.1050	0.120	2	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	122.2170	0.000	1	122.2170	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	122.9010	0.000	1	122.9010	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.7004	1.523	12	122.8449	2.625	14	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	121.8620	0.000	1	122.8449	2.625	14	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	125.5610	0.000	1	122.8449	2.625	14	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.8463	0.751	3	115.8463	0.564	3	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.3040	0.000	1	123.3040	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.2270	0.000	1	121.2270	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH){1|F<1>,1|H<1>,1|N<2>}	126.7960	0.072	2	126.7960	0.005	2	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	122.4447	1.267	4	122.4447	1.606	4	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	123.9020	1.841	4	120.6729	9.948	23	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	119.9931	2.965	19	120.6729	9.948	23	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	120.8480	0.000	1	120.8480	0.000	1	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	120.8560	1.172	2	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	122.9980	0.952	2	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	124.4577	0.703	3	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.2556	3.014	29	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	123.2240	0.000	1	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	121.3640	2.094	2	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	122.5930	1.907	5	122.3957	6.939	44	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	122.4450	0.028	2	122.9410	0.738	3	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.9330	0.000	1	122.9410	0.738	3	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	120.9222	2.389	11	120.8927	5.201	12	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	120.5690	0.000	1	120.8927	5.201	12	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.0738	0.950	5	124.0738	0.903	5	122.0004	7.693	119	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	126.1190	0.000	1	126.1190	0.000	1	126.1190	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	125.7885	0.264	2	125.7885	0.070	2	125.7885	0.070	2	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	B[6a]-3:C[6a]-3:N-3:	N(C[6a]B[6a]C[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	N(C[6a]B[6a]C[6a])(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	122.9360	0.000	1	122.9360	0.000	1	122.9360	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	118.3457	2.229	3	118.3457	4.966	3	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.6170	0.000	1	122.6170	0.000	1	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	123.2500	0.000	1	123.2500	0.000	1	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.4050	0.546	2	120.4050	0.298	2	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN[6]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN[6]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	122.7880	0.000	1	122.7880	0.000	1	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.3240	0.250	2	123.3240	0.063	2	121.1150	5.965	10	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)(H)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[5]HH)(H)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.4420	1.034	2	124.4420	1.069	2	124.4420	1.069	2	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.2340	0.000	1	124.2340	0.000	1	123.5792	0.711	5	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.6450	0.000	1	124.6450	0.000	1	123.5792	0.711	5	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	123.1230	0.458	2	123.1230	0.210	2	123.5792	0.711	5	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	122.7710	0.000	1	122.7710	0.000	1	123.5792	0.711	5	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[6]HH)(H)	C(N[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C(N[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	122.4620	0.000	1	123.2955	0.715	4	123.2955	0.715	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[6]HH)(H)	C(N[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C(N[6]C[6]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.5733	0.781	3	123.2955	0.715	4	123.2955	0.715	4	122.6133	7.565	195	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.3720	0.000	1	123.3720	0.000	1	123.3720	0.000	1	123.3720	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	123.3210	0.000	1	123.3210	0.000	1	120.6530	7.231	4	121.3902	8.141	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.7637	2.470	3	119.7637	6.101	3	120.6530	7.231	4	121.3902	8.141	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	121.3902	8.141	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	122.7600	0.800	2	122.7600	0.641	2	122.6608	0.160	6	122.6608	0.160	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	122.6112	0.207	4	122.6112	0.043	4	122.6608	0.160	6	122.6608	0.160	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.4440	0.000	1	122.4440	0.000	1	123.2805	1.399	2	123.4558	0.297	9	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	124.1170	0.000	1	124.1170	0.000	1	123.2805	1.399	2	123.4558	0.297	9	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.7580	0.240	4	123.7580	0.058	4	123.5059	0.149	7	123.4558	0.297	9	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.1350	0.000	1	123.1350	0.000	1	123.5059	0.149	7	123.4558	0.297	9	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.1870	0.356	2	123.1870	0.127	2	123.5059	0.149	7	123.4558	0.297	9	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.5920	0.000	1	124.5920	0.000	1	122.9528	1.372	4	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	122.3610	0.000	1	122.4063	0.267	3	122.9528	1.372	4	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.4290	0.728	2	122.4063	0.267	3	122.9528	1.372	4	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	120.3430	0.000	1	120.3430	0.000	1	119.7273	16.813	3	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.3540	0.000	1	115.3540	0.000	1	119.7273	16.813	3	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.4850	0.000	1	123.4850	0.000	1	119.7273	16.813	3	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	130.2050	0.000	1	130.2050	0.000	1	130.2050	0.000	1	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.8030	0.000	1	121.8030	0.000	1	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.1610	0.000	1	122.1610	0.000	1	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.9183	1.006	3	120.9183	1.013	3	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	126.6660	0.000	1	126.6660	0.000	1	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.7190	0.000	1	119.7190	0.000	1	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.7597	0.767	3	122.7597	0.589	3	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.3050	0.000	1	123.3050	0.000	1	122.2444	3.653	11	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.0835	0.032	2	123.0835	0.001	2	121.1563	11.142	3	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	117.3020	0.000	1	117.3020	0.000	1	121.1563	11.142	3	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(COO)2(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(COO)2(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3930	0.157	2	122.3930	0.025	2	122.3930	0.025	2	122.1276	8.086	28	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:2:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	128.1320	1.549	2	128.1320	2.398	2	128.1320	2.398	2	128.1320	2.398	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	126.7190	0.000	1	126.7190	0.000	1	126.7190	0.000	1	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.6840	0.000	1	120.6840	0.000	1	120.6840	0.000	1	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.3270	0.000	1	122.3270	0.000	1	124.1926	1.692	11	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.3890	1.717	2	123.3890	2.948	2	124.1926	1.692	11	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	124.9255	1.162	4	125.1010	1.167	5	124.1926	1.692	11	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	125.8030	0.000	1	125.1010	1.167	5	124.1926	1.692	11	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.8363	0.105	3	123.8363	0.011	3	124.1926	1.692	11	124.1171	2.961	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.2810	0.102	3	123.2810	0.010	3	123.2810	0.010	3	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	124.2630	0.888	2	124.2630	0.789	2	127.6217	34.236	3	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	134.3390	0.000	1	134.3390	0.000	1	127.6217	34.236	3	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.7410	0.000	1	119.7410	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.8450	0.000	1	121.8450	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	123.2190	0.000	1	123.2190	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.9790	0.000	1	123.4970	4.393	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	122.0150	0.000	1	123.4970	4.393	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	120.9330	0.000	1	120.9330	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	122.0340	0.000	1	122.0340	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	126.1025	1.049	2	126.1025	1.100	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	119.1790	0.000	1	119.1790	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.2680	0.000	1	122.2680	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	121.5340	0.000	1	122.9715	12.105	4	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.4507	4.096	3	122.9715	12.105	4	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.4270	0.991	3	122.4270	0.981	3	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.4005	0.364	2	119.4005	0.133	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	128.7860	0.000	1	128.7860	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.0900	0.000	1	121.0900	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.7260	1.469	2	123.7260	2.159	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	119.7970	0.000	1	119.7970	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.3610	0.000	1	125.3610	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	122.8265	1.534	2	122.8265	2.352	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	124.1800	0.000	1	124.1800	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	121.3330	0.000	1	121.3330	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3795	0.067	2	122.3795	0.005	2	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.3320	0.000	1	124.3320	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.7970	0.000	1	122.7970	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	118.0190	0.000	1	118.0190	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.8300	0.000	1	125.8300	0.000	1	122.6276	6.065	37	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	120.2380	0.000	1	120.2380	0.000	1	122.2521	5.453	9	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	121.8735	0.262	2	121.8735	0.069	2	122.2521	5.453	9	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.7140	2.754	6	122.7140	7.586	6	122.2521	5.453	9	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.0750	2.309	6	124.0750	5.333	6	124.0750	5.333	6	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N[5]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	122.9673	7.491	60	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.8670	0.000	1	123.8670	0.000	1	126.1625	10.539	2	126.1625	10.539	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	128.4580	0.000	1	128.4580	0.000	1	126.1625	10.539	2	126.1625	10.539	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.7600	6.302	3	121.7600	39.720	3	122.2964	23.905	5	122.2964	23.905	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	120.4530	0.000	1	120.4530	0.000	1	122.2964	23.905	5	122.2964	23.905	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.7490	0.000	1	125.7490	0.000	1	122.2964	23.905	5	122.2964	23.905	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	124.3740	0.000	1	124.3740	0.000	1	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	122.6410	0.000	1	122.6410	0.000	1	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	123.4810	0.342	2	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	121.9280	0.000	1	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	122.8520	1.077	6	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	122.5190	0.914	2	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	124.3470	0.174	3	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	122.9700	0.000	1	123.1367	1.013	15	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	123.5515	0.510	8	123.7995	0.657	12	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	124.8855	0.948	2	123.7995	0.657	12	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	123.7055	1.281	2	123.7995	0.657	12	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	124.0140	1.597	2	124.0140	2.549	2	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](N[6a]N[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	121.9310	0.000	1	121.9310	0.000	1	123.4256	1.011	32	123.4256	1.011	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	123.3600	0.000	1	123.3600	0.000	1	123.3600	0.000	1	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	121.6750	0.000	1	122.0620	0.300	2	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	122.4490	0.000	1	122.0620	0.300	2	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	122.2145	0.817	2	122.2247	0.334	3	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	122.2450	0.000	1	122.2247	0.334	3	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	123.9200	0.000	1	123.9200	0.000	1	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	120.8440	0.000	1	120.8440	0.000	1	122.2231	0.967	7	122.3653	0.990	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3552	1.374	4	123.0670	1.832	5	123.0270	1.475	6	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	121.9140	0.000	1	123.0670	1.832	5	123.0270	1.475	6	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	122.8270	0.000	1	122.8270	0.000	1	123.0270	1.475	6	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	125.9930	0.000	1	125.9930	0.000	1	125.9930	0.000	1	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	120.8400	0.000	1	120.8400	0.000	1	121.0310	0.073	2	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	121.2220	0.000	1	121.2220	0.000	1	121.0310	0.073	2	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.0250	0.000	1	125.2237	11.922	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	121.8820	0.000	1	125.2237	11.922	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	130.0135	0.132	2	125.2237	11.922	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	124.2107	0.759	3	125.2237	11.922	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	124.6995	0.327	2	124.0623	1.198	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	123.8074	1.219	5	124.0623	1.198	7	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	120.9490	0.000	1	120.9490	0.000	1	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	124.6150	0.000	1	124.6150	0.000	1	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	122.5730	0.127	2	122.5730	0.016	2	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.4172	1.616	4	123.4172	2.612	4	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.3600	1.537	2	117.3600	2.363	2	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	117.4490	0.000	1	117.4490	0.000	1	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	123.9310	0.000	1	123.9310	0.000	1	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	124.1220	1.094	3	124.1220	1.197	3	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CHHP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	120.6960	0.000	1	120.6960	0.000	1	123.2848	8.402	30	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	123.3060	0.000	1	123.3060	0.000	1	123.4800	0.033	3	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	123.5670	0.141	2	123.5670	0.020	2	123.4800	0.033	3	123.2190	6.561	42	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	125.7555	1.102	2	125.7555	1.215	2	126.3123	1.538	3	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	127.4260	0.000	1	127.4260	0.000	1	126.3123	1.538	3	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	N(C[6a]C[6a,6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	129.1850	0.000	1	129.1850	0.000	1	129.1850	0.000	1	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	122.7010	1.465	2	123.4997	2.987	3	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	125.0970	0.000	1	123.4997	2.987	3	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	131.1170	0.000	1	131.1170	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	124.9983	0.154	3	124.9983	0.024	3	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.8040	0.000	1	123.8040	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	127.5700	0.000	1	127.5700	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	122.8930	1.559	8	122.8930	2.430	8	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|N<2>,3|C<3>}	122.7290	0.000	1	122.7290	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	122.3820	0.000	2	122.3820	0.000	2	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	124.8620	1.253	3	124.8620	1.571	3	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	129.8950	0.000	1	129.8950	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	123.6387	1.665	11	123.6387	2.771	11	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	119.6530	0.000	2	119.6530	0.000	2	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH){2|H<1>,3|C<3>}	133.0900	0.000	1	133.0900	0.000	1	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.2810	0.000	1	122.2069	0.265	7	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	122.1030	0.217	3	122.2069	0.265	7	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	121.9527	0.240	3	122.2069	0.265	7	123.7994	7.246	45	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	124.4270	0.000	1	126.6092	1.804	5	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	127.1548	0.649	4	126.6092	1.804	5	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	119.9510	0.000	1	119.9510	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.7620	0.816	2	120.7620	0.666	2	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH){3|C<3>}	124.8750	0.000	1	124.8750	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	124.7500	0.000	1	124.7500	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	121.9150	0.000	1	121.9150	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	122.3810	0.000	1	122.3810	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.4410	0.000	1	122.4410	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.6540	0.000	1	121.6540	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH){1|N<3>,1|O<1>}	125.2790	0.372	2	125.2790	0.138	2	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	123.0087	3.572	3	123.0087	12.761	3	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.3196	1.425	18	124.1677	1.256	43	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	124.0582	0.854	25	124.1677	1.256	43	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	120.8940	0.000	1	120.8940	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.7075	1.809	16	123.6908	3.071	17	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	123.4230	0.000	1	123.6908	3.071	17	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.2630	0.000	1	122.2630	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CClHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.3370	0.000	1	123.3370	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	124.0810	0.000	1	124.0810	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CFFH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CFFH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.9370	0.718	3	125.9370	0.515	3	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	123.2117	1.152	45	123.2117	1.328	45	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	122.6730	0.000	1	122.6730	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	123.0890	0.000	1	123.0890	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	124.3130	0.000	1	124.3130	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	123.9507	0.927	3	124.0139	1.242	7	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	124.0613	1.380	4	124.0139	1.242	7	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	124.3385	0.112	2	124.3385	0.013	2	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	125.4940	0.000	1	125.4940	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.0190	1.803	2	115.0190	3.251	2	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	125.4190	0.000	1	125.4190	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.7812	1.045	4	124.3566	0.958	7	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.7903	0.629	3	124.3566	0.958	7	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	117.4260	0.000	1	117.4260	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	122.0210	0.000	1	122.0210	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	123.9030	3.386	2	123.9030	11.462	2	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.1913	1.833	15	124.1913	3.359	15	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|N<3>}	123.3330	0.000	1	123.3330	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	123.3100	0.000	1	123.3100	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	125.8210	0.000	1	124.0173	2.257	25	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.4230	0.219	2	124.0173	2.257	25	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	123.8075	1.479	22	124.0173	2.257	25	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.7486	0.879	7	123.7486	0.773	7	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.6730	0.000	1	120.6730	0.000	1	123.6990	3.325	208	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PMoCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PMoCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.1315	3.816	2	121.1315	14.564	2	122.9053	16.721	3	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	126.4530	0.000	1	126.4530	0.000	1	122.9053	16.721	3	123.7486	4.240	261	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	123.4076	0.699	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.8305	0.220	2	122.8305	0.048	2	123.0823	0.227	4	123.4076	0.699	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.3340	0.615	2	123.3340	0.378	2	123.0823	0.227	4	123.4076	0.699	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	122.8470	1.701	2	122.8470	2.894	2	122.8470	2.894	2	121.8797	2.498	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	121.4680	2.473	2	121.4680	6.118	2	121.3960	2.262	4	121.8797	2.498	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	121.8930	0.000	1	121.8930	0.000	1	121.3960	2.262	4	121.8797	2.498	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(COO)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	120.7550	0.000	1	120.7550	0.000	1	121.3960	2.262	4	121.8797	2.498	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6,6]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3310	0.318	2	122.3310	0.101	2	122.3310	0.101	2	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.4950	0.000	1	123.4950	0.000	1	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	116.1180	0.000	1	116.1180	0.000	1	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.5520	0.000	1	123.5520	0.000	1	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.7800	0.349	2	121.7800	0.122	2	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.4010	0.000	1	121.4010	0.000	1	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.0800	0.000	1	121.0800	0.000	1	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	123.0610	0.000	1	123.1670	0.089	3	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.2200	0.400	2	123.1670	0.089	3	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3160	0.150	2	122.3160	0.022	2	121.9449	4.101	12	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.6060	0.000	1	120.6060	0.000	1	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	115.2333	0.428	3	115.2333	0.183	3	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	116.4643	1.453	3	116.4643	2.111	3	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.5750	0.000	1	123.5750	0.000	1	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	125.8430	0.000	1	125.8430	0.000	1	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.3160	0.000	1	121.3160	0.000	1	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	122.1450	0.000	1	122.1450	0.000	1	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.4287	0.553	3	125.4287	0.305	3	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.6723	1.090	3	124.6723	1.188	3	121.1106	18.737	17	121.4903	11.349	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	124.3645	0.590	2	124.3645	0.349	2	124.3645	0.349	2	124.3645	0.349	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	123.3980	0.000	1	123.3980	0.000	1	124.2517	0.555	3	123.5853	2.147	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	124.6785	0.132	2	124.6785	0.017	2	124.2517	0.555	3	123.5853	2.147	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHPP)(H)	C(NC[6a]H)(PO3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHPP)(H)	C(NC[6a]H)(PO3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	123.5853	2.147	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	124.1250	0.000	2	124.1250	0.000	2	125.1863	0.814	6	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	125.7170	0.480	4	125.7170	0.230	4	125.1863	0.814	6	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)2(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)2(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	125.0985	1.078	2	125.0985	1.163	2	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	129.0745	3.618	2	129.0745	13.092	2	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.2880	0.000	1	124.2880	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.2560	0.000	1	122.2560	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	118.6240	0.000	1	118.6240	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)2(H)	C[6a](C[6a]C[6a]N)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)2(H)	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	132.7960	0.000	1	132.7960	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	117.0600	0.000	1	117.0600	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.3230	0.000	1	125.3230	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.3250	0.450	13	125.3250	0.203	13	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.8230	0.000	1	124.8230	0.000	1	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	124.5977	0.778	3	124.5977	0.606	3	125.0568	8.675	27	125.0804	7.178	33	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:2:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CN)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CN)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	127.3670	0.000	1	127.3670	0.000	1	127.3670	0.000	1	127.3670	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	119.8660	0.062	2	121.3187	6.333	3	123.3440	20.630	4	123.3440	20.630	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.2240	0.000	1	121.3187	6.333	3	123.3440	20.630	4	123.3440	20.630	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	129.4200	0.000	1	129.4200	0.000	1	123.3440	20.630	4	123.3440	20.630	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	127.5655	0.892	4	127.7177	0.574	6	127.1824	0.814	11	127.1824	0.814	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	128.3400	0.000	1	127.7177	0.574	6	127.1824	0.814	11	127.1824	0.814	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	127.7040	0.000	1	127.7177	0.574	6	127.1824	0.814	11	127.1824	0.814	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	126.2460	0.000	1	126.2460	0.000	1	127.1824	0.814	11	127.1824	0.814	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	126.6135	0.679	4	126.6135	0.461	4	127.1824	0.814	11	127.1824	0.814	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	N(C[6a]C[6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	126.8863	1.474	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	126.0190	0.000	1	126.0190	0.000	1	126.1925	0.060	2	126.8863	1.474	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N(C[6a]N[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	126.3660	0.000	1	126.3660	0.000	1	126.1925	0.060	2	126.8863	1.474	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	126.4725	0.337	2	126.4725	0.114	2	126.4725	0.114	2	125.7767	0.901	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	126.4480	0.000	1	126.4480	0.000	1	126.4480	0.000	1	125.7767	0.901	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	124.8140	0.177	2	125.3642	0.981	5	125.3642	0.981	5	125.7767	0.901	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	124.3800	0.000	1	125.3642	0.981	5	125.3642	0.981	5	125.7767	0.901	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N(C[6a]C[6a]N[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	126.4065	0.383	2	125.3642	0.981	5	125.3642	0.981	5	125.7767	0.901	8	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH){1|H<1>,4|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	125.9980	3.447	9	125.9980	11.879	9	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	129.4180	0.000	1	129.2723	0.403	3	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	128.5770	0.000	1	129.2723	0.403	3	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	129.8220	0.000	1	129.2723	0.403	3	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	130.0740	0.000	1	129.5828	0.284	4	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	129.4190	0.515	3	129.5828	0.284	4	127.5081	9.584	16	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]H)2(NCO){3|C<3>}	124.7150	0.000	1	124.7150	0.000	1	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|H<1>,1|N<3>}	124.9745	1.968	2	124.9745	3.873	2	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	124.2663	0.511	3	123.2997	12.808	24	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	126.1668	1.050	11	123.2997	12.808	24	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	127.0460	0.000	1	123.2997	12.808	24	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	119.0570	1.313	9	123.2997	12.808	24	123.4762	11.740	27	124.8678	14.759	44	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	121.8173	0.356	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CC[3]HH)(H)	C(C[3]C[3]2H)(NC[6a]H)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N(C[6a]N[6a]2)(CC[3]HH)(H)	C(C[3]C[3]2H)(NC[6a]H)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	121.4730	0.024	2	121.4730	0.001	2	121.4730	0.001	2	121.8173	0.356	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	123.0270	0.000	1	124.2273	2.856	3	123.8380	2.109	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	124.8275	1.884	2	124.2273	2.856	3	123.8380	2.109	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.3630	0.000	1	122.3630	0.000	1	123.8380	2.109	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	124.1450	0.000	1	124.1450	0.000	1	123.8380	2.109	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.9870	0.000	1	123.9870	0.000	1	123.9870	0.000	1	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Fe)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Fe)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.4970	0.000	1	123.4970	0.000	1	123.0980	0.272	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.1990	0.000	1	122.1990	0.000	1	123.0980	0.272	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.3325	0.107	2	123.3325	0.011	2	123.0980	0.272	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Pd)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Pd)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.1290	0.000	1	123.1290	0.000	1	123.0980	0.272	5	123.5152	1.114	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	124.9050	0.000	1	124.9050	0.000	1	124.9050	0.000	1	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[5a]HH)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[5a]HH)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	131.3370	0.000	1	131.3370	0.000	1	126.7980	41.205	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	122.2590	0.000	1	122.2590	0.000	1	126.7980	41.205	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.7870	0.000	1	122.7870	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.6330	0.000	1	124.6330	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	122.9565	0.837	2	122.9565	0.700	2	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	124.0630	0.000	1	124.0630	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.2475	0.243	2	124.4262	1.303	5	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	124.5453	1.589	3	124.4262	1.303	5	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.2900	0.000	1	124.2900	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	120.5170	0.000	1	120.5170	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	125.1270	0.000	1	125.1270	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5a]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3490	0.000	1	122.3490	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	117.6410	0.000	1	117.6410	0.000	1	123.2967	4.293	15	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	125.0280	0.000	1	125.0280	0.000	1	125.2285	0.080	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	125.4290	0.000	1	125.4290	0.000	1	125.2285	0.080	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	123.6020	0.000	1	123.6020	0.000	1	121.9930	4.303	6	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	125.3000	0.000	1	125.3000	0.000	1	121.9930	4.303	6	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.3675	0.576	2	120.3675	0.332	2	121.9930	4.303	6	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1605	0.993	2	121.1605	0.987	2	121.9930	4.303	6	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	127.9590	3.353	2	127.9590	11.243	2	124.1414	16.192	5	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.5963	1.572	3	121.5963	2.472	3	124.1414	16.192	5	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(PC[6a]2Au)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(PC[6a]2Au)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	124.2630	0.000	1	124.2630	0.000	1	123.3600	0.806	3	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(PC[6a]2Cu)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(PC[6a]2Cu)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	122.9085	0.624	2	122.9085	0.390	2	123.3600	0.806	3	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(PC[6a]2Cu)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(PC[6a]2Cu)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.8890	0.000	1	122.8890	0.000	1	122.4900	0.318	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(PC[6a]2O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.0910	0.000	1	122.0910	0.000	1	122.4900	0.318	2	123.2280	8.899	38	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:2:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	122.6340	0.460	2	122.6340	0.211	2	122.6340	0.211	2	122.6340	0.211	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.8060	0.000	1	119.8060	0.000	1	122.4802	3.963	4	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	124.4070	0.000	1	124.4070	0.000	1	122.4802	3.963	4	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	122.8540	0.864	2	122.8540	0.747	2	122.4802	3.963	4	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	123.3090	0.000	1	123.3090	0.000	1	122.4060	1.631	2	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.5030	0.000	1	121.5030	0.000	1	122.4060	1.631	2	122.3746	2.301	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	123.4474	6.960	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.1595	0.303	2	125.1595	0.092	2	125.1595	0.092	2	123.4474	6.960	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	125.3200	0.000	1	125.3200	0.000	1	125.3200	0.000	1	123.4474	6.960	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	123.4474	6.960	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CC)(H)	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6]CC)(H)	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	122.3120	0.000	1	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	122.6200	0.332	2	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	122.3680	0.689	2	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	122.1960	0.670	3	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	121.7043	0.378	3	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	122.8720	0.000	1	122.2384	0.306	12	122.2384	0.306	12	122.2384	0.306	12	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	113.2407	0.844	4	113.2407	0.713	4	115.1106	18.016	5	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.5900	0.000	1	122.5900	0.000	1	115.1106	18.016	5	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	122.8830	0.643	2	122.8830	0.414	2	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.6270	0.000	1	120.6270	0.000	1	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NIr)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CH3)(NIr)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	119.6930	0.000	1	119.6930	0.000	1	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NMo)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NMo)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.9000	0.000	1	121.9000	0.000	1	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NN)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NN)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	123.6785	0.436	2	123.6785	0.190	2	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CH3)(NO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	123.3430	0.335	2	123.3430	0.112	2	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NTi)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NTi)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.7185	0.971	2	120.7185	0.943	2	122.1333	2.277	11	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:S-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(SC)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CH3)(SC)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.3610	0.000	1	118.3610	0.000	1	118.2900	0.010	2	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:S-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(SS)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CH3)(SS)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.2190	0.000	1	118.2190	0.000	1	118.2900	0.010	2	119.7555	15.836	18	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-2:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC){1|H<1>,4|C<3>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	122.6365	0.349	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(COO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(COO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN){1|C<3>,2|H<1>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	122.6365	0.349	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.7750	1.113	2	114.7750	1.239	2	114.7750	1.239	2	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C(NC[6a]N)(CHHS)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C(NC[6a]N)(CHHS)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN){2|H<1>,3|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	122.0300	0.000	1	122.0300	0.000	1	122.8177	0.280	7	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	122.7120	0.262	4	122.7120	0.069	4	122.8177	0.280	7	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	123.2320	0.000	1	123.2320	0.000	1	122.8177	0.280	7	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	123.6140	0.000	1	123.6140	0.000	1	122.8177	0.280	7	121.2029	11.802	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OCo)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(OCo)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	125.5180	0.000	1	125.5180	0.000	1	118.3478	26.295	10	118.3478	26.295	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	115.1834	0.670	7	115.1834	0.449	7	118.3478	26.295	10	118.3478	26.295	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OMn)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(OMn)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	126.1910	0.000	1	126.1910	0.000	1	118.3478	26.295	10	118.3478	26.295	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(ONi)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(ONi)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	125.4850	0.000	1	125.4850	0.000	1	118.3478	26.295	10	118.3478	26.295	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.3860	0.000	1	122.3860	0.000	1	122.3860	0.000	1	122.6600	0.515	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NO)	C(CN[6]HH)(NC[6a]N)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CCHH)(NO)	C(CN[6]HH)(NC[6a]N)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	122.7970	0.957	2	122.7970	0.917	2	122.7970	0.917	2	122.6600	0.515	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	117.4640	0.000	1	117.4640	0.000	1	118.2368	1.050	4	118.2368	1.050	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	119.1460	0.000	1	119.1460	0.000	1	118.2368	1.050	4	118.2368	1.050	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	119.0950	0.000	1	118.1685	1.717	2	118.2368	1.050	4	118.2368	1.050	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	117.2420	0.000	1	118.1685	1.717	2	118.2368	1.050	4	118.2368	1.050	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	121.3107	3.764	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NHH)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NHH)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	122.2527	1.101	3	122.2527	1.213	3	122.0062	1.076	5	121.3107	3.764	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	121.6365	1.193	2	121.6365	1.423	2	122.0062	1.076	5	121.3107	3.764	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CClHH)(CCO)	C(NC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CClHH)(CCO)	C(NC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.0870	0.000	1	115.0870	0.000	1	115.0870	0.000	1	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.8863	1.300	6	118.8863	1.689	6	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CCN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.9400	0.000	1	115.9400	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	117.2038	0.794	6	117.0309	0.464	9	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	116.6850	0.112	3	117.0309	0.464	9	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	115.5680	0.000	1	115.5680	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	118.4390	0.475	2	118.1555	1.114	16	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.1150	1.120	14	118.1555	1.114	16	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	116.8630	0.000	1	116.8630	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	118.3397	3.034	4	118.3397	9.205	4	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.7190	0.000	1	118.3180	0.322	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	117.9170	0.000	1	118.3180	0.322	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	116.1573	0.691	3	116.1573	0.478	3	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	118.4177	1.002	3	118.4240	0.883	29	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.4247	0.953	26	118.4240	0.883	29	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.1262	1.168	41	117.1262	1.365	41	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.1960	0.000	1	119.1960	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CCS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CCS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	116.2820	0.421	2	116.2820	0.178	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CHH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	121.1580	0.000	1	121.1580	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CHH)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0357	0.848	3	121.0357	0.719	3	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.8410	1.285	4	114.8410	1.652	4	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.8080	0.000	1	116.8080	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	120.9720	0.000	1	120.9720	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3650	1.788	2	118.3650	3.195	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	118.2610	0.000	1	118.2610	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4795	1.639	11	117.4795	2.685	11	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.0890	0.000	1	118.0890	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	118.7200	0.000	1	116.4114	1.775	8	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.0816	1.027	7	116.4114	1.775	8	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	117.7194	1.182	5	117.7194	1.396	5	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.0980	1.116	2	119.0980	1.245	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	118.8330	0.327	2	118.8330	0.107	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	117.9330	0.000	1	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	115.5259	0.789	8	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.2514	1.298	16	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	114.4020	0.000	1	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	117.4127	0.782	7	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	116.0663	0.852	3	116.7404	1.776	36	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	115.6430	0.000	1	115.6430	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9624	1.020	15	116.9624	1.040	15	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.2160	0.000	1	118.2160	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	117.6930	0.000	1	117.6930	0.000	1	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]N[6a]N)2(NCC)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(H)3	C[6a](C[6a]N[6a]N)2(NCC){1|C<3>}	117.2595	0.131	2	117.2595	0.017	2	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	118.2720	0.000	1	118.0169	0.321	8	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.9804	0.602	7	118.0169	0.321	8	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CSS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CSS)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.6718	0.795	4	115.6718	0.632	4	117.4542	2.238	226	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	122.3610	0.000	1	122.3610	0.000	1	122.4202	0.463	5	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	123.1480	0.000	1	122.4350	0.616	4	122.4202	0.463	5	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|S<4>}	122.8280	0.000	1	122.4350	0.616	4	122.4202	0.463	5	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NOO)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.8820	0.757	2	122.4350	0.616	4	122.4202	0.463	5	117.5536	2.726	233	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.7027	0.507	4	118.7376	0.198	5	118.7376	0.198	5	118.4203	0.763	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	118.8770	0.000	1	118.7376	0.198	5	118.7376	0.198	5	118.4203	0.763	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHO)(CCO)	C(NC[6a]C)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CHHO)(CCO)	C(NC[6a]C)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	118.4203	0.763	6	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:2:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:S-2:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHOS)(CIrS)	C(NC[6a]C)(SIr)(OC)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHOS)(CIrS)	C(NC[6a]C)(SIr)(OC)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	117.8830	0.000	1	117.8830	0.000	1	117.8830	0.000	1	118.1730	0.168	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:P-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.4630	0.000	1	118.1730	0.168	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	117.5920	0.000	1	117.5920	0.000	1	117.5920	0.000	1	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	114.4150	0.000	1	114.4150	0.000	1	115.5270	2.473	2	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,4|C<3>}	116.6390	0.000	1	116.6390	0.000	1	115.5270	2.473	2	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	116.4585	1.635	4	116.4585	2.674	4	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	119.6560	0.000	1	118.4046	2.314	8	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.2259	1.550	7	118.4046	2.314	8	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	117.3383	0.354	3	117.3383	0.126	3	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	118.0450	0.000	1	118.0450	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	116.0260	0.863	2	116.0260	0.744	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.5935	0.766	11	118.5935	0.586	11	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	119.3300	0.000	1	119.3300	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9757	0.709	10	116.9757	0.503	10	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.1840	0.782	2	117.1840	0.612	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.2350	0.000	1	116.2350	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9497	1.016	3	116.9497	1.033	3	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.6150	0.000	1	119.6150	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.2585	1.474	2	117.2585	2.174	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7510	0.000	1	117.7510	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.2440	0.000	1	114.2440	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC){1|C<3>,2|C<4>}	115.7005	2.907	2	115.7005	8.450	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	116.4010	0.000	1	116.4010	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	117.4055	0.134	2	117.4055	0.018	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	117.0075	0.705	2	117.0075	0.497	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.4750	0.000	1	117.4750	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	116.0570	0.000	1	116.0570	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.4520	0.000	1	116.4520	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.2800	1.994	2	118.2800	3.976	2	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	119.0840	0.000	1	119.0840	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	118.2390	0.000	1	118.2390	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.7880	0.000	1	114.7880	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|Cl<1>,1|C<3>,1|N<3>}	120.2210	0.000	1	120.2210	0.000	1	117.4908	2.070	67	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BC[6]N)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BC[6]N)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.3910	0.000	1	114.3910	0.000	1	115.3100	0.652	3	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	115.7695	0.194	2	115.7695	0.038	2	115.3100	0.652	3	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.4030	0.165	3	118.4030	0.027	3	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.5620	0.000	1	118.5620	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC){2|H<1>,3|C<3>}	117.4080	0.000	1	117.4080	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.1545	1.177	2	118.1545	1.386	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.4265	0.627	2	119.4265	0.393	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	120.6900	0.000	1	120.6900	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	120.0460	0.000	1	120.0460	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	117.9720	0.000	1	119.1595	1.696	11	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.2782	1.308	10	119.1595	1.696	11	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.5535	0.083	2	119.5535	0.007	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	119.0890	0.083	2	119.0890	0.007	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9410	0.000	1	116.9410	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	119.9340	0.041	2	119.9340	0.002	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	118.6520	0.000	1	118.6520	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.6213	0.584	3	119.6213	0.341	3	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.7745	0.965	2	118.7745	0.932	2	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	116.8000	0.000	1	116.8000	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	118.2330	0.000	1	118.2330	0.000	1	119.0028	1.166	39	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	117.9444	2.625	116	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	116.9873	2.806	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.2337	0.896	3	116.2337	0.802	3	116.2337	0.802	3	116.9873	2.806	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<2>}	118.8580	0.000	1	118.8580	0.000	1	119.9475	2.374	2	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0370	0.000	1	121.0370	0.000	1	119.9475	2.374	2	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.4490	0.000	1	117.4490	0.000	1	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.0990	0.000	1	116.0990	0.000	1	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	120.9880	0.000	1	120.9880	0.000	1	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.0720	0.066	2	120.0720	0.004	2	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	117.2470	0.000	1	118.1983	6.439	3	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.6740	3.394	2	118.1983	6.439	3	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.5860	0.000	1	120.5860	0.000	1	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	119.3210	0.000	1	119.3210	0.000	1	118.9182	3.826	10	118.9112	3.629	13	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3050	1.237	2	118.3050	1.531	2	118.3050	1.531	2	118.3050	1.531	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.7320	0.269	2	118.7320	0.072	2	118.7320	0.072	2	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	120.2490	0.000	1	120.2490	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	119.9423	0.111	3	119.9423	0.012	3	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3320	0.000	1	118.3320	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.4130	0.000	1	118.4130	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	117.1850	0.000	1	117.1850	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.4380	0.000	1	119.4380	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.4580	0.000	1	117.4580	0.000	1	118.9891	1.363	9	118.9424	1.108	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.4470	0.131	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:N-3:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	C(NC[6a]N)(CHHO)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	C(NC[6a]N)(CHHO)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	121.7030	0.000	1	121.7030	0.000	1	121.7030	0.000	1	121.4470	0.131	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.0540	0.139	2	121.0540	0.019	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.8370	0.000	1	115.8370	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.3423	0.487	4	117.3423	0.237	4	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4480	0.000	1	117.7605	0.195	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	118.0730	0.000	1	117.7605	0.195	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.5720	1.250	3	117.5720	1.562	3	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	118.3160	0.733	2	118.3160	0.537	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.7420	0.992	6	116.7420	0.984	6	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.3350	0.000	1	118.3350	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	119.0058	0.546	10	119.0058	0.298	10	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.2180	0.260	2	119.2180	0.068	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	116.7260	0.832	2	116.7260	0.691	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.6103	0.479	3	117.6103	0.229	3	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CFeN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CFeN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.7372	1.892	6	114.7372	3.581	6	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	121.6400	0.000	1	121.6400	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	116.3434	1.547	7	116.3434	2.393	7	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.1575	0.397	2	117.1575	0.157	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.5520	1.079	2	119.5520	1.164	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3860	0.000	1	118.3860	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CPdCH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(CPdCH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	116.9170	0.000	1	116.9170	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	119.5785	1.008	2	119.5785	1.015	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.9093	0.309	3	118.9093	0.095	3	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.6930	0.000	1	118.6930	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	120.6520	0.000	1	120.6520	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CInN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CInN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	113.6840	0.929	2	113.6840	0.863	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CIrN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.8143	1.049	3	114.8143	1.100	3	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CIrN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	115.9295	0.067	2	115.9295	0.005	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNN)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CNN)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.5585	1.095	2	119.5585	1.200	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.9840	0.989	5	115.9840	0.978	5	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CNS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.2150	0.000	1	117.2150	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNiN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CNiN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	113.0435	1.172	6	113.0435	1.373	6	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.6350	0.000	1	117.6350	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CPdN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CPdN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	115.1517	1.779	4	115.1517	3.165	4	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	114.6215	1.575	2	114.6215	2.480	2	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	113.7180	0.000	1	113.7180	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	115.2120	0.000	1	115.2120	0.000	1	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CSS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CSS)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.0633	0.434	3	116.0633	0.188	3	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CZnN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CZnN)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	114.4597	1.663	6	114.4597	2.765	6	116.7665	5.047	104	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:P-3:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(PCl2)	C(NC[6a]P)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCP)	N(C[6a]C[6a]2)(CCHH)(PCl2)	C(NC[6a]P)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	118.4470	0.905	2	118.4470	0.819	2	118.4470	0.819	2	116.7982	5.011	106	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	119.6872	11.473	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.6820	0.000	1	114.6820	0.000	1	118.8603	10.738	4	119.6872	11.473	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.9970	0.000	1	117.9970	0.000	1	118.8603	10.738	4	119.6872	11.473	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)(COO)(H)	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)(COO)(H)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,1|C<4>,1|H<1>}	120.5740	0.000	1	120.5740	0.000	1	118.8603	10.738	4	119.6872	11.473	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.1880	0.000	1	122.1880	0.000	1	118.8603	10.738	4	119.6872	11.473	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.0945	0.350	2	118.0945	0.123	2	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.9595	0.607	4	118.9595	0.368	4	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|O<2>}	116.2620	0.000	1	116.2620	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	117.6680	0.000	1	117.6680	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.8220	1.943	2	119.8220	3.776	2	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	118.7500	0.000	1	118.7500	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.0212	0.452	4	119.0212	0.204	4	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	120.4080	0.561	2	120.4080	0.315	2	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CHN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CHN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	121.1745	0.254	2	121.1745	0.064	2	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	121.2100	0.000	1	121.2100	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	119.0430	0.000	1	119.0430	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	120.3140	0.000	1	120.3140	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CNO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCCH)(CNO)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.5600	0.000	1	118.5600	0.000	1	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.0160	0.136	2	120.0160	0.018	2	119.3104	1.593	25	119.3104	1.593	25	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(CCO)	C(NC[6a]C)(CH3)2(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CC3)(CCO)	C(NC[6a]C)(CH3)2(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(COO)	C(NC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC3)(COO)	C(NC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4235	0.541	2	120.4235	0.293	2	120.4235	0.293	2	120.4235	0.293	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CCO)	C(CN[5]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(CN[5]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.3510	0.000	1	118.3510	0.000	1	117.5605	1.285	4	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNO)	C(CC[5]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(CC[5]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.8800	0.000	1	115.8800	0.000	1	117.5605	1.285	4	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(COO)	C(CC[5]HI)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(COO)	C(CC[5]HI)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	118.0055	0.097	2	118.0055	0.009	2	117.5605	1.285	4	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[3]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[3]C[3]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[3]C[3]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5,6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.6425	0.824	4	117.6425	0.679	4	117.6425	0.679	4	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4650	0.000	1	117.4650	0.000	1	117.6380	0.060	2	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.8110	0.000	1	117.8110	0.000	1	117.6380	0.060	2	117.4500	0.874	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6]-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6]-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	121.6675	1.510	2	121.6675	2.279	2	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	120.9000	0.000	1	120.9000	0.000	1	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	120.4645	0.291	2	120.4645	0.084	2	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	121.4413	0.999	6	121.3834	1.897	10	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	121.2965	2.003	4	121.3834	1.897	10	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	121.2670	0.569	2	121.4360	1.119	4	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	121.6050	1.708	2	121.4360	1.119	4	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])2(NCC){3|C<3>}	120.7473	0.152	3	120.7473	0.023	3	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	121.4285	0.325	2	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	121.3005	0.442	4	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	121.1540	0.219	2	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	121.0290	1.502	2	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	121.1764	0.704	20	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	121.0580	0.000	1	121.1939	0.421	31	121.2075	0.736	53	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	120.4330	0.146	2	119.7073	0.878	7	119.7073	0.878	7	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	118.7600	0.000	1	119.7073	0.878	7	119.7073	0.878	7	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	120.4580	0.361	2	119.7073	0.878	7	119.7073	0.878	7	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	118.7045	0.161	2	119.7073	0.878	7	119.7073	0.878	7	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:2:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](N[6a]C[6a])2(NCS)	N(C[6a]N[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	119.1937	0.924	4	119.1937	0.853	4	119.1937	0.853	4	120.9175	1.154	64	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|N<3>,2|C<3>}	121.1505	1.573	4	121.1505	2.476	4	121.1505	2.476	4	121.1505	2.476	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1100	0.000	1	123.1100	0.000	1	121.9549	2.676	15	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	122.4500	4.253	2	122.4500	18.084	2	121.9549	2.676	15	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6693	1.008	4	121.7761	1.561	12	121.9549	2.676	15	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	122.3045	1.329	4	121.7761	1.561	12	121.9549	2.676	15	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	121.3545	1.522	4	121.7761	1.561	12	121.9549	2.676	15	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	115.1140	0.000	1	115.1140	0.000	1	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.0890	0.368	2	121.1457	0.077	3	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	121.2590	0.000	1	121.1457	0.077	3	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.3790	0.279	2	120.3790	0.078	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	120.8320	5.192	2	120.8320	26.952	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	120.4080	0.000	1	120.4080	0.000	1	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC){2|C<4>,3|C<3>}	120.8045	2.767	2	120.8045	7.656	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	121.3480	2.114	2	121.3480	4.470	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	121.8825	2.374	2	119.6423	18.939	10	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	112.0635	1.231	2	119.6423	18.939	10	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>}	121.8125	1.736	2	119.6423	18.939	10	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	119.6355	1.747	2	119.6423	18.939	10	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<3>,1|O<1>}	122.8175	1.655	2	119.6423	18.939	10	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	120.1150	0.687	2	121.0235	0.674	15	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.2940	0.904	4	121.0235	0.674	15	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	121.4411	0.382	7	121.0235	0.674	15	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){3|C<3>}	119.9295	0.286	2	121.0235	0.674	15	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC)	N(C[6a]C[6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC){1|C<3>,1|H<1>}	120.5215	0.005	2	120.5215	0.000	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.3980	0.578	2	120.3980	0.335	2	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.4123	0.604	6	120.4123	0.365	6	120.4536	5.637	48	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]N[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N(C[6a]N[5a,6a]N[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,2|N<2>}	122.3840	5.904	2	122.3840	34.861	2	122.3840	34.861	2	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	121.3245	3.487	2	121.3245	12.157	2	121.3245	12.157	2	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[4]-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	C(NC[6a]C[4])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	C(NC[6a]C[4])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]2)(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]2)(O[6a]C[6a])(NCS){1|C<4>,1|O<1>,3|C<3>}	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	120.7465	5.904	72	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[5a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	122.3130	3.408	2	122.3130	11.616	2	122.3130	11.616	2	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	117.2415	0.657	2	119.2645	6.253	4	119.2645	6.253	4	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<1>,3|C<3>}	121.2875	1.399	2	119.2645	6.253	4	119.2645	6.253	4	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	118.9710	0.000	1	118.9710	0.000	1	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	111.3160	0.000	1	111.3160	0.000	1	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	122.4250	2.366	2	118.4797	23.980	4	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	114.5345	2.020	2	118.4797	23.980	4	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	122.4370	1.533	2	122.4370	2.350	2	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	120.6630	0.320	2	120.6630	0.102	2	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	115.8727	1.347	6	115.8727	1.815	6	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	112.5370	1.837	2	113.0801	2.690	8	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	112.5970	1.899	2	113.0801	2.690	8	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	113.5932	1.802	4	113.0801	2.690	8	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	120.8805	1.812	2	120.8805	3.284	2	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	116.1197	1.704	4	116.1197	2.902	4	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	118.2092	1.006	4	118.2092	1.012	4	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC){1|H<1>,1|N<2>,3|C<3>}	121.8470	1.213	2	121.8470	1.472	2	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	115.9815	1.668	2	115.9815	2.782	2	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	120.7757	1.982	28	120.8078	3.535	32	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.3510	1.375	2	120.8078	3.535	32	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|N<2>,2|C<3>,2|H<1>}	120.7135	1.010	2	120.8078	3.535	32	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	114.6698	2.775	36	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	112.3188	0.909	22	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	113.4327	1.887	20	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	111.2150	1.382	2	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	111.5623	2.941	6	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.1188	1.448	52	114.0997	5.155	138	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	120.6247	3.405	6	120.6247	11.595	6	115.7961	12.856	214	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	120.7260	0.112	2	120.7758	0.760	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	120.8255	1.503	2	120.7758	0.760	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	118.4740	0.000	1	118.4740	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.9770	0.000	1	119.9770	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.5080	0.000	1	115.7095	1.275	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	114.9110	0.000	1	115.7095	1.275	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	120.1480	0.000	1	119.7838	2.101	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.8018	1.500	24	119.7838	2.101	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	118.9890	0.000	1	119.7838	2.101	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	120.1490	0.000	1	120.1490	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	120.0570	0.000	1	120.0570	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	117.9990	0.000	1	118.7320	0.684	3	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.5680	0.000	1	118.7320	0.684	3	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	119.6290	0.000	1	118.7320	0.684	3	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	122.2165	0.507	2	122.2165	0.257	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.8795	2.515	2	119.8795	6.326	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.9490	0.000	1	113.9490	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.0790	0.000	1	120.0790	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.3960	1.260	5	119.3960	1.587	5	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CGeHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CGeHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3920	0.000	1	118.3920	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|B<4>,1|C<3>,1|H<1>}	119.5000	0.038	2	120.2839	0.492	18	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	120.0935	0.776	2	120.2839	0.492	18	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	120.4231	0.690	14	120.2839	0.492	18	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	120.9249	0.892	16	120.9249	0.796	16	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	119.3275	2.455	4	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	118.0658	1.689	6	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	121.8402	1.305	12	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	120.1644	0.509	15	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|P<4>}	119.0298	0.649	4	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	121.4718	1.316	38	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	120.5062	0.598	6	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	120.2136	1.723	12	120.7000	2.713	97	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	120.7335	1.267	4	120.7335	1.604	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	122.5735	1.689	2	122.5735	2.854	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	120.5795	0.585	60	120.5973	0.445	100	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	120.6241	0.783	40	120.5973	0.445	100	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	116.4605	1.814	2	116.4605	3.290	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)2(NCC){3|C<3>}	120.6587	1.567	4	120.6587	2.454	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	115.7664	1.634	7	115.3593	2.267	15	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.0030	1.390	8	115.3593	2.267	15	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.8070	0.028	2	115.8070	0.001	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<2>,1|C<3>,1|F<1>}	120.7205	0.511	4	120.7205	0.261	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|O<1>,1|O<2>}	122.3410	0.846	4	117.6918	16.939	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	119.0610	0.648	2	117.6918	16.939	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.0266	3.423	14	117.6918	16.939	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|N<2>,2|H<1>}	120.3547	2.697	6	117.6918	16.939	26	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	116.7622	1.724	4	116.7622	2.972	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	121.0190	3.011	2	118.4303	12.336	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.8415	1.066	2	118.4303	12.336	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	121.5560	3.144	2	121.4718	8.009	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|F<1>}	121.3875	3.757	2	121.4718	8.009	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	119.5490	0.000	1	116.6630	6.591	5	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<3>,1|F<1>,1|N<3>}	115.9415	2.306	4	116.6630	6.591	5	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	120.7317	2.412	7	120.7317	5.819	7	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	115.3515	0.626	2	115.3515	0.392	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	116.4912	1.758	4	117.0236	11.009	30	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	116.4644	2.715	20	117.0236	11.009	30	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|O<2>}	122.2465	4.543	2	117.0236	11.009	30	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.7407	5.332	4	117.0236	11.009	30	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	112.7132	1.652	55	112.7132	2.731	55	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	113.9663	0.780	4	113.9663	0.609	4	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|H<1>}	119.7470	0.525	2	119.7470	0.275	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	120.8895	1.057	6	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|N<3>}	118.2220	1.088	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Bi<3>,1|C<3>,1|H<1>}	121.1165	0.620	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Br<1>,1|C<3>,1|H<1>}	120.0702	0.627	6	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	119.6380	1.217	6	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|I<1>}	120.5898	0.406	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	120.5890	0.294	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	120.9522	0.811	20	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	121.0495	0.183	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|C<4>}	120.0110	0.949	10	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.5281	1.034	1893	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	117.1790	0.324	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	120.0814	2.137	38	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<6>,1|C<3>,1|H<1>}	120.1402	1.698	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<8>,1|C<3>,1|H<1>}	119.7715	0.104	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	120.8114	0.590	100	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	122.0669	1.082	16	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Pt<4>,1|C<3>,1|H<1>}	120.0185	0.152	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Ru<6>,1|C<3>,1|H<1>}	119.7870	0.144	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Se<2>,1|H<1>,1|N<2>}	120.7045	0.624	8	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|C<3>,1|N<3>}	118.3891	1.555	8	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Te<2>,1|C<3>,1|H<1>}	121.3475	0.684	4	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){2|Se<2>,1|N<2>}	120.7350	0.658	2	120.5298	1.151	2147	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.8460	2.191	2	120.8460	4.799	2	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	112.0697	1.343	6	112.0697	1.803	6	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	113.5453	1.903	8	113.5453	3.620	8	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.8910	0.000	1	119.8910	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CRhHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CRhHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(NCC){1|N<2>,2|F<1>}	126.4210	0.000	1	126.4210	0.000	1	120.1871	3.614	2623	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	118.6240	0.956	3	118.6240	0.914	3	118.6240	0.914	3	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)2(NCP)	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	113.7105	0.045	2	113.7105	0.002	2	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PCoCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PCoCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	119.8987	0.613	16	119.8987	0.375	16	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PIrCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PIrCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|O<2>}	119.0120	1.809	2	118.9305	1.099	4	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PIrCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PIrCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|S<2>}	118.8490	0.004	2	118.9305	1.099	4	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PNNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)2(NCP)	N(C[6a]C[6a]2)(PNNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	115.6575	0.455	4	115.6575	0.207	4	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PNiCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PNiCC)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	120.0037	0.465	18	120.0037	0.216	18	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	116.8023	1.073	3	116.8023	1.152	3	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	116.0330	1.749	4	116.0330	3.058	4	118.7992	4.082	51	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	117.9487	2.045	3	117.9487	4.181	3	117.9487	4.181	3	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS)	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS){1|O<2>,4|C<3>}	118.8220	0.000	1	118.8220	0.000	1	117.4667	1.389	6	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	118.3465	0.494	2	118.3465	0.244	2	117.4667	1.389	6	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	116.4885	0.248	2	116.4885	0.062	2	117.4667	1.389	6	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|N<2>,1|N<3>}	116.3080	0.000	1	116.3080	0.000	1	117.4667	1.389	6	119.8300	5.645	2906	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	113.8355	0.333	2	113.8355	0.111	2	118.0816	6.569	9	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.8266	0.749	5	118.8266	0.561	5	118.0816	6.569	9	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4650	0.000	2	120.4650	0.000	2	118.0816	6.569	9	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	118.8470	1.687	2	118.8470	2.846	2	119.7801	0.867	14	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.0212	0.812	10	119.9357	0.581	12	119.7801	0.867	14	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	119.5080	0.160	2	119.9357	0.581	12	119.7801	0.867	14	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	119.0766	3.498	24	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	118.7090	1.220	2	118.7090	1.490	2	118.7090	1.490	2	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	119.8935	0.613	2	119.8935	0.376	2	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	121.9370	0.000	1	121.9370	0.000	1	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	120.9183	2.165	4	120.8375	2.893	6	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<4>}	120.6760	0.569	2	120.8375	2.893	6	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	120.8359	1.112	8	120.8359	1.238	8	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]N[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]N[6a])2(NCC){1|C<3>}	120.6890	0.956	2	120.6890	0.914	2	120.7797	1.522	19	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	119.3438	0.991	6	119.3438	0.982	6	119.2811	1.337	9	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	121.1080	0.000	1	119.1557	2.859	3	119.2811	1.337	9	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(NC[6a]C)(COO)(H)2	C[6a](N[6a]C[6a])2(NCC){2|Cl<1>,1|N<2>}	118.1795	0.008	2	119.1557	2.859	3	119.2811	1.337	9	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](N[6a]C[6a])2(NC[6]C){1|C<3>,2|O<2>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	120.1163	2.111	31	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	O[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCS){1|O<1>,2|C<3>}	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.0085	0.853	2	121.0085	0.728	2	121.0085	0.728	2	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	124.1000	0.000	1	124.1000	0.000	1	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.3550	0.000	1	120.3550	0.000	1	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	120.6165	0.268	2	120.6165	0.072	2	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	122.2610	0.000	1	122.2610	0.000	1	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	120.8875	1.529	2	121.1220	2.432	5	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.2783	1.898	3	121.1220	2.432	5	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	120.0070	0.723	2	121.1997	2.114	4	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){2|Cl<1>,1|N<2>}	122.3925	0.359	2	121.1997	2.114	4	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	118.7843	3.900	16	118.7843	15.208	16	119.9636	10.439	30	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.6240	0.634	2	121.6240	0.401	2	121.6240	0.401	2	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	113.7750	0.000	1	113.7750	0.000	1	115.1150	3.591	2	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|H<1>}	116.4550	0.000	1	116.4550	0.000	1	115.1150	3.591	2	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS){1|O<1>,2|C<3>}	116.8850	0.000	1	116.8850	0.000	1	116.0367	1.852	3	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS){1|O<1>,4|C<3>}	114.4670	0.000	1	114.4670	0.000	1	116.0367	1.852	3	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|O<1>}	116.7580	0.000	1	116.7580	0.000	1	116.0367	1.852	3	119.5516	10.671	39	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.0590	0.000	1	122.0590	0.000	1	121.3893	0.382	3	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(CC[5a]N)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(CC[5a]N)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0545	0.302	2	121.0545	0.091	2	121.3893	0.382	3	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	120.7300	0.809	2	120.7300	0.654	2	118.4776	7.780	9	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.6440	0.350	4	115.6440	0.122	4	118.4776	7.780	9	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.3040	0.000	1	120.3040	0.000	1	118.4776	7.780	9	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.9790	1.762	2	120.9790	3.105	2	118.4776	7.780	9	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	C(C[5a]C[5a]O[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.3650	0.000	2	120.3650	0.000	2	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	C(C[5a]N[5a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	C(C[5a]N[5a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.8050	0.000	1	119.8050	0.000	1	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.2340	0.000	1	118.2340	0.000	1	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.9980	0.218	2	119.9980	0.047	2	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.4210	0.000	1	119.4210	0.000	1	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C(C[5a]N[5a,6a]C[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.8630	0.000	1	118.8630	0.000	1	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C(C[5a]C[5a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0877	0.459	3	121.0877	0.211	3	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)2	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)2	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.3850	1.178	2	117.3850	1.388	2	119.6217	1.856	13	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.3260	0.000	1	118.3260	0.000	1	120.9768	2.882	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7370	0.000	1	120.7370	0.000	1	120.9768	2.882	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.3865	1.825	2	122.3865	3.331	2	120.9768	2.882	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0125	0.127	2	121.0125	0.016	2	120.9768	2.882	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	121.7155	3.470	2	121.7155	12.039	2	121.7155	12.039	2	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.7880	1.106	2	115.7880	1.223	2	115.7880	1.223	2	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7350	0.000	1	117.7350	0.000	1	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	115.8690	0.000	1	115.8690	0.000	1	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.9460	0.000	1	113.9460	0.000	1	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|H<1>}	115.4210	0.583	2	115.4210	0.339	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.6834	0.676	5	113.6834	0.457	5	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	120.7940	0.000	1	120.3508	13.264	4	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	120.2030	4.446	3	120.3508	13.264	4	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7650	1.723	8	120.7650	2.968	8	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0170	0.000	1	121.0170	0.000	1	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.9320	0.280	2	122.9320	0.078	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4370	1.055	2	120.4370	1.113	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4200	1.669	2	120.4200	2.785	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.3280	1.546	2	120.3280	2.389	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4853	1.657	3	120.4853	2.745	3	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.9340	0.000	1	113.9340	0.000	1	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[5,6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[5,6a]H)2(NCC){1|C<3>,2|P<4>}	119.9740	0.190	2	119.9740	0.036	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	120.9073	0.373	6	121.1475	2.855	44	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.1185	1.841	34	121.1475	2.855	44	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){2|Br<1>,1|C<3>}	121.7542	1.671	4	121.1475	2.855	44	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.6755	0.934	2	117.6755	0.873	2	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4511	0.916	18	120.4401	0.829	20	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	120.3415	1.210	2	120.4401	0.829	20	120.1317	6.343	103	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	122.1750	0.000	1	122.1750	0.000	1	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.3900	0.000	1	121.3900	0.000	1	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7787	1.039	6	120.7787	1.080	6	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.8585	0.176	2	120.8585	0.031	2	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.7310	0.000	1	121.7310	0.000	1	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	123.0780	0.000	1	123.0780	0.000	1	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	122.5978	2.651	4	122.5978	7.026	4	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	119.4694	1.978	14	119.4694	3.913	14	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.3238	1.667	9	120.3238	2.780	9	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CClC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CClC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.5580	0.000	2	121.5580	0.000	2	120.5794	3.671	41	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.4250	1.954	3	121.4250	3.816	3	120.4130	4.418	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(NC[6a]C)(NNS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(NC[6a]C)(NNS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.0580	0.000	1	117.0580	0.000	1	120.4130	4.418	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHN)2	C(NC[6a]C)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHN)2	C(NC[6a]C)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.5725	0.278	2	120.5725	0.077	2	120.4130	4.418	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.1900	0.404	2	121.1900	0.164	2	121.1256	0.669	10	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7115	0.459	6	120.7115	0.211	6	121.1256	0.669	10	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	122.3035	0.993	2	122.3035	0.987	2	121.1256	0.669	10	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	112.5735	0.849	2	112.5735	0.721	2	121.0250	6.895	30	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]F)2(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	122.2355	1.083	2	122.2355	1.172	2	121.0250	6.895	30	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.5820	1.330	26	121.5820	1.768	26	121.0250	6.895	30	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CSeHH)2	C(NC[6a]C)(SeFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CSeHH)2	C(NC[6a]C)(SeFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.4225	1.059	6	121.4225	1.121	6	121.4225	1.121	6	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C(N[5]C[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C(N[5]C[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.1810	0.000	1	122.1810	0.000	1	119.5751	2.013	7	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	119.5200	0.701	4	119.5200	0.491	4	119.5751	2.013	7	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3825	0.977	2	118.3825	0.954	2	119.5751	2.013	7	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(CC[6a]C[6])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(CC[6a]C[6])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	120.3480	0.000	1	120.3480	0.000	1	120.3480	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS){1|H<1>,4|C<3>}	117.8120	0.000	1	117.8120	0.000	1	117.8120	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,1|O<2>,3|C<3>}	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	116.4847	1.367	3	116.4847	1.869	3	117.0598	1.596	5	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(NCS)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,1|N<2>,1|N<3>}	118.2100	0.000	1	118.2100	0.000	1	117.0598	1.596	5	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	117.6350	0.000	1	117.6350	0.000	1	117.0598	1.596	5	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	115.1120	0.000	1	115.1120	0.000	1	115.5765	0.432	2	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CC[6]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CC[6]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	116.0410	0.000	1	116.0410	0.000	1	115.5765	0.432	2	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:Si-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]C)2(NSiC)	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C(NC[6a]P)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP)	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C(NC[6a]P)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP){1|C<3>,2|H<1>}	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	116.6490	0.204	4	116.6490	0.042	4	117.4653	1.589	12	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.6184	1.455	5	117.6184	2.116	5	117.4653	1.589	12	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	117.0190	0.000	1	117.0190	0.000	1	117.4653	1.589	12	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	119.8240	0.000	1	119.8240	0.000	1	117.4653	1.589	12	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	118.0520	0.000	1	118.0520	0.000	1	117.4653	1.589	12	119.9970	6.054	263	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	119.0673	8.383	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:S-4:	N[5a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	120.5800	0.000	1	120.5800	0.000	1	120.7365	0.049	2	119.0673	8.383	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:S-4:	N[5a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	120.8930	0.000	1	120.8930	0.000	1	120.7365	0.049	2	119.0673	8.383	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.9770	0.344	2	121.9770	0.118	2	121.9770	0.118	2	121.9770	0.118	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	119.7927	0.073	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	119.8920	0.025	2	119.8920	0.001	2	119.9253	0.004	3	119.7927	0.073	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	119.9920	0.000	1	119.9920	0.000	1	119.9253	0.004	3	119.7927	0.073	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	120.9450	0.000	1	120.9450	0.000	1	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	121.2870	0.000	1	121.2870	0.000	1	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	120.8480	0.522	2	120.8480	0.272	2	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	120.8991	0.899	24	120.9030	0.788	29	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	120.7053	0.919	4	120.9030	0.788	29	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|S<2>}	121.7880	0.000	1	120.9030	0.788	29	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	121.0920	0.699	2	121.0920	0.488	2	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	120.9264	0.691	14	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	120.9919	1.479	8	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	120.7138	0.383	4	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	120.7754	0.770	25	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	120.4307	0.367	3	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a])2(NCC){2|Se<2>,1|N<2>}	121.1807	0.491	6	120.8587	0.666	60	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	121.0062	0.820	6	121.0062	0.672	6	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|C<4>}	121.0360	0.844	4	121.0360	0.712	4	120.8952	0.655	105	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:O[6a]-2:N-3:	N(C[6a]N[6a]O[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC)	N(C[6a]N[6a]O[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC){1|C<3>,1|O<1>,1|S<2>}	120.4900	1.619	2	120.4900	2.622	2	120.4900	2.622	2	120.8877	0.670	107	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	121.0775	2.043	2	121.0775	4.173	2	121.0775	4.173	2	118.7844	8.373	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	118.6100	3.067	2	118.6100	9.409	2	118.2111	8.292	8	118.7844	8.373	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	117.6820	2.090	2	117.0120	2.285	4	118.2111	8.292	8	118.7844	8.373	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	116.3420	0.830	2	117.0120	2.285	4	118.2111	8.292	8	118.7844	8.373	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	120.2105	5.264	2	120.2105	27.714	2	118.2111	8.292	8	118.7844	8.373	10	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	118.0870	0.000	1	118.0870	0.000	1	117.8325	0.130	2	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	117.5780	0.000	1	117.5780	0.000	1	117.8325	0.130	2	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	N(C[6a]C[6a,6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	122.5105	6.612	2	122.5105	43.721	2	122.5105	43.721	2	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	116.2470	0.000	1	116.2470	0.000	1	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.2385	0.127	2	120.0830	0.081	3	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	119.7720	0.000	1	120.0830	0.081	3	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|N<2>,1|N<3>,1|O<2>}	120.5855	1.201	2	120.5855	1.443	2	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	122.7700	3.875	2	121.8171	7.671	8	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	121.1455	2.494	4	121.8171	7.671	8	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	122.2075	4.011	2	121.8171	7.671	8	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.4960	0.369	3	121.4960	0.136	3	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	119.4600	0.000	1	119.4600	0.000	1	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	121.4760	0.000	1	121.4760	0.000	1	120.9278	4.978	19	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	121.5138	1.886	8	121.5138	3.558	8	121.5138	3.558	8	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	120.8002	7.025	32	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4,6a]-3:C[6a]-3:N-3:	N(C[6a]C[4,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC)	N(C[6a]C[4,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.3275	1.118	2	121.3275	1.250	2	121.3275	1.250	2	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N-3:	N(C[6a]C[5a,6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	N(C[6a]C[5a,6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	113.7780	0.819	2	113.7780	0.670	2	113.7780	0.670	2	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.5162	1.746	6	121.5162	3.048	6	121.0511	3.679	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	119.6560	2.307	2	119.6560	5.320	2	121.0511	3.679	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC)	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC){2|H<1>,5|C<3>}	114.7310	1.444	2	114.7310	2.085	2	115.1238	3.349	6	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC)	N(C[6a]C[6a,6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC){2|H<1>,5|C<3>}	115.3203	2.176	4	115.3203	4.733	4	115.1238	3.349	6	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	122.6620	0.000	1	122.6620	0.000	1	117.8443	14.275	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	118.0555	0.514	2	118.0555	0.264	2	117.8443	14.275	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	112.2955	0.255	2	112.2955	0.065	2	117.8443	14.275	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<2>,3|C<3>}	119.8625	1.804	2	119.8625	3.254	2	117.8443	14.275	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	119.6650	0.000	1	119.6650	0.000	1	117.8443	14.275	8	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.3145	0.395	2	115.3145	0.156	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	118.0760	0.000	1	118.0760	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.8970	0.000	1	121.8970	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	123.8810	0.000	1	123.8810	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.1580	0.000	1	115.1485	2.038	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	114.1390	0.000	1	115.1485	2.038	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.5200	2.913	10	119.5200	8.488	10	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	122.2590	0.000	1	122.2590	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.5615	2.798	2	121.5615	7.829	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.8840	0.000	1	121.8840	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.0159	0.599	7	122.0159	0.359	7	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.6430	4.125	2	119.6430	17.018	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CBrHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CBrHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.6540	0.000	1	120.6540	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	121.2455	0.556	2	121.2455	0.310	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.9140	0.082	2	121.9140	0.007	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.3385	0.992	2	121.3385	0.984	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	110.7975	0.312	2	110.7975	0.097	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	122.0175	0.914	2	120.9160	2.127	40	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	121.5295	0.525	2	120.9160	2.127	40	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7996	1.512	35	120.9160	2.127	40	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	121.5610	0.000	1	120.9160	2.127	40	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]N)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]N)2(NCC){1|C<3>,2|H<1>}	121.1200	1.411	2	121.1200	1.992	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CClHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CClHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	120.4177	0.586	4	120.4177	0.343	4	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0546	0.931	13	121.0546	0.866	13	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.3050	0.000	1	122.3050	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.5410	0.216	2	121.5410	0.047	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	121.9720	0.153	2	121.2976	0.845	310	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.2923	0.923	300	121.2976	0.845	310	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	121.3277	0.865	8	121.2976	0.845	310	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	121.5258	0.653	121	121.5047	0.449	123	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	120.2270	0.505	2	121.5047	0.449	123	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)2(NCC){3|C<3>}	120.8118	0.226	4	120.8118	0.051	4	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<2>,1|N<4>,3|H<1>}	113.7950	1.580	2	113.7950	2.495	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<2>}	121.9702	0.831	4	121.5216	0.736	487	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	121.7114	0.741	188	121.5216	0.736	487	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<3>}	121.5777	1.365	6	121.5216	0.736	487	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.3907	0.896	289	121.5216	0.736	487	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])2(NCC){1|N<2>,4|C<3>}	121.4645	0.592	2	121.4645	0.350	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	121.5470	3.357	2	121.5470	11.272	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.1926	0.482	7	120.8642	0.786	15	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	120.5769	1.082	8	120.8642	0.786	15	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>}	121.6890	1.980	2	121.6890	3.920	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	116.9290	0.776	4	116.9290	0.602	4	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.5183	1.254	35	120.5543	1.518	37	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	121.1845	0.565	2	120.5543	1.518	37	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.8040	0.150	2	117.8040	0.022	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.0859	0.549	10	121.0859	0.302	10	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.7490	0.000	1	116.7490	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	121.8650	0.000	1	120.1385	5.962	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	118.4120	0.000	1	120.1385	5.962	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	123.1940	0.206	2	123.1940	0.043	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.1400	0.000	1	122.1400	0.000	1	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|H<1>}	115.5520	0.421	2	115.5520	0.178	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.9768	0.791	4	115.9768	0.626	4	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	122.4815	1.998	2	122.4815	3.990	2	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.6487	1.711	3	119.6487	2.927	3	121.2453	1.709	1118	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:Ge-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CGeHH)(CH3)	C(NC[6a]C)(GeCCI)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CGeHH)(CH3)	C(NC[6a]C)(GeCCI)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.7203	4.031	20	118.7203	16.248	20	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PFeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PFeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3298	3.440	12	118.3298	11.836	12	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	123.2690	0.382	2	123.2690	0.146	2	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.1920	3.591	10	119.1920	12.893	10	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	112.3345	2.098	2	112.3345	4.402	2	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.5165	0.037	2	119.5165	0.001	2	118.6776	14.631	48	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:Nb-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(NbN3)	C(NC[6a]Nb)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNbC)	N(C[6a]C[6a]2)(CCHH)(NbN3)	C(NC[6a]Nb)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	115.9630	0.888	3	115.9630	0.788	3	115.9630	0.788	3	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	119.7640	0.000	1	119.7640	0.000	1	118.8448	0.537	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	118.6008	0.676	4	118.6008	0.457	4	118.8448	0.537	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	118.7650	0.614	2	118.7650	0.377	2	118.8448	0.537	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.1080	0.000	1	118.1080	0.000	1	118.8448	0.537	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	119.7980	0.000	1	119.7980	0.000	1	118.8448	0.537	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[3x6]-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C(NC[3x6]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C)	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C(NC[3x6]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C){2|H<1>,3|C<3>}	116.0290	0.000	1	116.0290	0.000	1	116.0290	0.000	1	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C(NC[6a]C[6])(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C(NC[6a]C[6])(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:Ga-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C(NC[6a]Ga)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC)	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C(NC[6a]Ga)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC){1|C<3>,2|H<1>}	119.0277	0.490	3	119.0277	0.240	3	117.1461	2.582	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:Ga-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C(NC[6a]Ga)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NGaC)	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C(NC[6a]Ga)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	116.2053	0.921	6	116.2053	0.849	6	117.1461	2.582	9	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:In-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C(NC[6a]In)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C(NC[6a]In)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	119.7640	0.758	3	119.7640	0.574	3	119.7640	0.574	3	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:Nb-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NbNNP)(CCHH)	C(NC[6a]Nb)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNbC)	N(C[6a]C[6a]2)(NbNNP)(CCHH)	C(NC[6a]Nb)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	115.6667	2.020	3	115.6667	4.082	3	115.6667	4.082	3	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PIrCC)(CCHH)	C(NC[6a]P)(CH3)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PIrCC)(CCHH)	C(NC[6a]P)(CH3)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|O<2>}	118.2975	0.288	2	118.2975	0.083	2	118.2975	0.083	2	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	119.6480	0.000	1	119.6480	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	117.9545	0.958	2	117.9545	0.918	2	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	118.2800	0.000	1	118.2800	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){1|O<2>,2|C<3>}	118.2440	0.000	1	117.7225	0.544	2	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){3|C<3>}	117.2010	0.000	1	117.7225	0.544	2	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.6615	1.207	2	117.6615	1.457	2	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	118.4583	0.848	3	118.4583	0.719	3	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	118.4690	0.310	2	118.0928	0.599	5	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	117.8420	0.956	3	118.0928	0.599	5	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	118.4700	0.000	1	118.4700	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	119.0210	0.000	1	119.0210	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHI)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHI)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|H<1>,1|I<1>}	115.2940	0.000	1	115.2940	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	119.4700	0.000	1	119.4700	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	120.9860	0.000	1	120.9860	0.000	1	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	116.9100	0.000	1	117.2663	0.203	3	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	117.4445	0.465	2	117.2663	0.203	3	118.1452	1.382	24	120.9349	3.293	1248	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	118.9730	0.806	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(NC[6a]S)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(NC[6a]S)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	118.9730	0.806	2	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS){1|N<3>,2|C<3>,2|H<1>}	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	2:2:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	120.1863	1.312	4	120.1863	1.720	4	120.1863	1.720	4	120.1863	1.720	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	118.2595	1.339	4	118.2595	1.794	4	118.2595	1.794	4	118.2595	1.794	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.0920	0.294	2	114.0920	0.087	2	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	118.8520	0.000	1	118.8520	0.000	1	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	121.0320	0.000	1	121.0320	0.000	1	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	120.7190	0.000	1	120.7190	0.000	1	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CHHN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CHHN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	126.8625	0.428	2	126.5887	0.316	3	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CHHN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CHHN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	126.0410	0.000	1	126.5887	0.316	3	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC){1|N<3>,4|C<3>}	120.3700	1.174	2	120.3700	1.378	2	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)2(NCC)	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)2(NCC){1|N<3>,6|C<3>}	120.4850	2.331	2	120.4850	5.432	2	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	113.4645	0.322	2	113.4645	0.104	2	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.5992	5.579	4	117.5992	31.124	4	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7680	0.000	1	117.7680	0.000	1	119.2293	22.604	19	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	119.5080	0.000	1	119.5080	0.000	1	119.6885	0.065	2	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(NC[6a]S)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	119.8690	0.000	1	119.8690	0.000	1	119.6885	0.065	2	119.2730	20.366	21	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:3:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	120.5400	0.000	1	121.2203	0.806	3	121.2203	0.806	3	121.2203	0.806	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	2:2:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	C[6a](N[6a]C[6a])2(NCC){2|Cl<1>,1|N<2>}	121.5605	0.958	2	121.2203	0.806	3	121.2203	0.806	3	121.2203	0.806	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C(CC[5a]HH)(NC[6a]C)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C(CC[5a]HH)(NC[6a]C)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	118.6940	0.000	1	118.6940	0.000	1	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	122.8430	1.731	2	121.6330	4.925	4	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.4230	2.434	2	121.6330	4.925	4	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6]2B)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6]2B)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.0210	0.000	1	120.0210	0.000	1	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.9550	0.000	1	120.9550	0.000	1	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6a]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C(PC[6a]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	120.2975	0.389	4	120.2975	0.151	4	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	119.2790	0.765	2	119.2790	0.585	2	120.4577	2.314	13	120.5421	2.236	14	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(CC[6a]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(CC[6a]HH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.9950	0.000	1	119.9950	0.000	1	121.1418	1.900	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[5a]CO)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[5a]CO)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	123.1450	0.000	1	123.1450	0.000	1	121.1418	1.900	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]CH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]CH)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.7590	0.000	1	120.7590	0.000	1	121.1418	1.900	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]HN)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]HN)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.6680	0.000	1	120.6680	0.000	1	121.1418	1.900	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[3]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	118.5820	0.000	1	118.5820	0.000	1	119.7502	1.955	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	119.4270	0.000	1	120.1397	2.022	3	119.7502	1.955	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.7770	0.000	1	120.1397	2.022	3	119.7502	1.955	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	119.2150	0.000	1	120.1397	2.022	3	119.7502	1.955	4	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.7347	0.735	4	116.7347	0.540	4	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	123.1400	1.059	2	123.1400	1.122	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PdC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PdC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	121.2220	1.934	4	121.2220	3.739	4	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.5675	1.483	2	114.5675	2.199	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.6228	4.180	6	118.6228	17.473	6	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Cu)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Cu)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.1540	0.855	6	122.1540	0.731	6	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Mo)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Mo)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.8415	1.228	2	117.8415	1.509	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	115.6860	0.516	2	115.6860	0.266	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4460	0.479	2	122.0510	3.512	4	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	123.6560	0.031	2	122.0510	3.512	4	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Ru)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Ru)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.8610	0.829	2	120.8610	0.687	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.1970	0.294	4	122.1970	0.086	4	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.8759	4.001	8	115.8759	16.007	8	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.5995	0.975	2	118.5995	0.951	2	119.2058	12.636	48	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	P-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	C(PC[6a]2Cr)(NC[6a]P)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	C(PC[6a]2Cr)(NC[6a]P)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	114.1195	0.023	2	114.1195	0.001	2	114.1195	0.001	2	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(CC[6a]HO)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(CC[6a]HO)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	118.2040	1.452	2	118.2040	2.109	2	118.2040	2.109	2	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	C[3]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	115.1613	2.819	3	115.1613	7.950	3	115.1613	7.950	3	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	118.4210	0.000	2	118.4210	0.000	2	118.4210	0.000	2	118.9973	11.471	66	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:2:1:	3:3:3:	C[6a]-3:S-4:C-4:	C-4:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:S-4:C-4:	C-4:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	120.2980	0.000	1	120.2980	0.000	1	120.2980	0.000	1	120.2980	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:5:4:	3:4:4:4:	3:3:3:	C[6a]-3:Nb-5:C-4:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NbN3O)(CC3)	C(NC[6a]Nb)(CH3)3	C[6a](C[6a]C[6a]H)2(NNbC)	N(C[6a]C[6a]2)(NbN3O)(CC3)	C(NC[6a]Nb)(CH3)3	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	112.6643	1.966	3	112.6643	3.864	3	112.6643	3.864	3	112.6643	3.864	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	128.3660	0.000	1	128.3660	0.000	1	122.7047	15.262	7	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	115.4300	0.000	1	115.4300	0.000	1	122.7047	15.262	7	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.8680	0.000	1	123.8680	0.000	1	122.7047	15.262	7	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.7260	0.560	2	121.7260	0.314	2	122.7047	15.262	7	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.9085	0.347	2	123.9085	0.121	2	122.7047	15.262	7	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	115.2685	0.228	2	115.2685	0.052	2	115.2685	0.052	2	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	121.2753	18.027	11	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:4:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.8760	0.000	1	121.8760	0.000	1	122.7930	1.682	2	122.9393	1.005	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	123.7100	0.000	1	123.7100	0.000	1	122.7930	1.682	2	122.9393	1.005	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.0070	0.000	1	123.0070	0.000	1	123.0070	0.000	1	122.9393	1.005	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.6690	1.227	3	122.9955	1.429	4	122.9955	1.429	4	122.9393	1.005	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	123.9750	0.000	1	122.9955	1.429	4	122.9955	1.429	4	122.9393	1.005	7	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	124.7930	0.000	1	124.7930	0.000	1	124.1685	0.780	2	122.9560	2.479	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	123.5440	0.000	1	123.5440	0.000	1	124.1685	0.780	2	122.9560	2.479	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.7435	0.880	2	121.7435	0.775	2	121.7435	0.775	2	122.9560	2.479	4	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	124.8728	2.439	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.9730	0.000	1	125.9730	0.000	1	125.9730	0.000	1	124.8728	2.439	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	124.8728	2.439	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	125.6070	1.795	2	125.6070	3.221	2	125.6070	3.221	2	124.8728	2.439	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:N-2:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	3:1:1:1:	2:2:3:	C[5]-4:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](N[6a]C[6a])2(NC[5]C)	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[6a](N[6a]C[6a])2(NC[5]C){1|N<2>,2|N<3>}	120.1340	0.000	1	120.1340	0.000	1	120.1340	0.000	1	120.1340	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C-4:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	119.7804	12.742	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C-4:C[6a]-3:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	122.2423	0.336	3	122.2423	0.113	3	122.2423	0.113	3	119.7804	12.742	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[3x6]-4:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C(NC[3x6]C[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C(NC[3x6]C[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C){1|C<3>,2|H<1>}	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	119.7804	12.742	5	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.6163	0.139	3	119.6163	0.019	3	119.6163	0.019	3	119.6163	0.019	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:4:	6:3:3:1:	3:3:3:	C-4:C[6a]-3:C-4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	5:3:4:	3:1:1:1:	3:3:3:	Ge[4,5]-5:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C(NGe[4,5]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NGe[4,5]C)	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C(NGe[4,5]C[6a])(H)3	C[6a](C[6a]C[6a]H)2(NGe[4,5]C){1|C<3>,2|H<1>}	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP2_SP2_SP3	N	C	C[6a]	6:3:4:	3:4:1:1:	3:3:3:	Nb[3x3]-6:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	C(NNb[3x3]C[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNb[3x3]C)	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	C(NNb[3x3]C[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NNb[3x3]C){1|C<3>,2|C<4>}	115.1580	1.274	3	115.1580	1.623	3	115.1580	1.623	3	115.1580	1.623	3	120.2130	7.809	7708	120.2130	7.809	7708
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:2:4:	3:1:1:1:	2:2:3:	C[6a]-3:N-2:C-4:	N-3:H-1:H-1:H-1:	N[6a]-2:S[6a]-2:N-3:	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	C(NC[6a]N)(H)3	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	C(NC[6a]N)(H)3	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NC[6])(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.4805	3.666	2	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.1195	0.346	4	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	117.0330	0.000	1	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	118.4980	0.151	2	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	116.9053	0.773	3	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	116.9050	0.000	1	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	119.5715	0.206	2	117.8821	1.901	15	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.5620	0.522	2	118.5620	0.272	2	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.7210	0.000	1	117.5530	0.056	2	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	117.3850	0.000	1	117.5530	0.056	2	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	117.8440	0.000	1	117.8440	0.000	1	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.7560	0.174	2	116.7560	0.030	2	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.1271	0.984	38	118.0755	1.046	39	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	116.1150	0.000	1	118.0755	1.046	39	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	113.8400	2.300	2	113.8400	5.288	2	117.8483	1.770	63	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C(NC[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C(NC[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	121.2693	1.358	3	121.2693	1.843	3	121.2693	1.843	3	118.0251	2.257	67	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	117.0410	0.000	1	117.0410	0.000	1	116.9470	0.580	5	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	116.9235	0.877	4	116.9235	0.770	4	116.9470	0.580	5	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	112.6530	0.000	1	112.6530	0.000	1	114.3197	1.263	4	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.9595	0.204	2	114.9595	0.042	2	114.3197	1.263	4	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	114.7070	0.000	1	114.7070	0.000	1	114.3197	1.263	4	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.8870	0.000	1	116.8870	0.000	1	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	116.7587	1.041	6	116.7587	1.084	6	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	111.0880	1.536	2	111.0880	2.359	2	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.2400	4.025	2	116.7513	8.816	3	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	115.7740	0.000	1	116.7513	8.816	3	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.3355	0.161	2	117.3355	0.026	2	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	114.5755	2.139	4	114.5755	4.576	4	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	115.5964	0.892	5	115.5964	0.796	5	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.5710	0.000	1	116.5710	0.000	1	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	113.6350	0.000	1	113.6350	0.000	1	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.6735	0.466	2	115.5195	0.447	11	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	115.2631	0.354	9	115.5195	0.447	11	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C(NC[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	114.5810	0.000	1	114.5810	0.000	1	115.5764	3.259	37	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NCuC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NCuC)(CH3)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.2690	0.000	1	121.2690	0.000	1	121.2690	0.000	1	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N[5a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C(NC[6a]N[5a])(H)3	C[6a](C[6a]C[6a]H)2(NN[5a]C)	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C(NC[6a]N[5a])(H)3	C[6a](C[6a]C[6a]H)2(NN[5a]C){1|C<3>,2|H<1>}	120.9280	0.000	1	120.9280	0.000	1	120.9280	0.000	1	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	115.9787	4.462	50	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.0775	1.515	2	116.0775	2.296	2	116.4297	3.938	4	116.4297	3.938	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.7820	3.004	2	116.7820	9.023	2	116.4297	3.938	4	116.4297	3.938	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	116.1180	0.000	1	116.1180	0.000	1	116.1180	0.000	1	117.6145	7.747	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.5600	2.396	2	116.5600	5.739	2	116.5600	5.739	2	117.6145	7.747	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	117.3645	3.399	2	117.3645	11.554	2	117.3645	11.554	2	117.6145	7.747	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	117.6145	7.747	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-3:C-3:F-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.5245	2.180	2	118.5245	4.752	2	118.5245	4.752	2	118.5245	4.752	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	111.1340	0.000	1	111.1340	0.000	1	112.2060	5.352	4	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.5800	0.000	1	115.5800	0.000	1	112.2060	5.352	4	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	111.0550	0.935	2	111.0550	0.874	2	112.2060	5.352	4	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.4643	1.203	6	117.4643	1.448	6	117.2229	1.089	30	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.1910	1.032	23	117.1625	1.039	24	117.2229	1.089	30	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(NC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	116.5060	0.000	1	117.1625	1.039	24	117.2229	1.089	30	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C(NC[6a]2)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C(NC[6a]2)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.5835	3.193	2	118.5835	10.193	2	118.5835	10.193	2	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C(NC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	116.9136	4.755	38	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C(CC[6]HH)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C(CC[6]HH)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.6855	1.726	2	117.6855	2.979	2	117.6855	2.979	2	117.9493	1.241	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Co)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Co)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.2130	0.683	2	118.2130	0.467	2	118.2130	0.467	2	117.9493	1.241	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	N(C[6a]C[6a]O[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	121.1665	1.331	2	121.1665	1.773	2	121.1665	1.773	2	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	114.4620	0.000	1	119.1180	16.259	3	119.1180	16.259	3	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	121.4460	0.000	2	119.1180	16.259	3	119.1180	16.259	3	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	121.2180	0.000	1	121.2180	0.000	1	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.9050	0.000	1	120.9050	0.000	1	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,3|H<1>}	120.2540	0.000	1	122.0620	6.538	2	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	123.8700	0.000	1	122.0620	6.538	2	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	122.6240	0.000	1	122.6240	0.000	1	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CH3)(H)	C(NC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	122.3520	0.000	1	122.3520	0.000	1	121.8705	1.754	6	120.9918	5.829	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	112.4230	0.000	1	112.4230	0.000	1	115.8555	23.564	2	115.8555	23.564	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	115.8555	23.564	2	115.8555	23.564	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	2:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	122.7610	0.000	1	122.6641	1.103	8	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	124.6580	0.000	1	122.6641	1.103	8	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	122.1170	0.000	1	122.6641	1.103	8	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	122.7260	0.265	4	122.6641	1.103	8	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	120.8730	0.000	1	122.6641	1.103	8	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	121.5570	0.000	1	121.5570	0.000	1	122.5411	1.101	9	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	122.4860	0.000	1	122.4860	0.000	1	122.4860	0.000	1	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHN)(H)	C(NC[6a]H)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C(NC[6a]H)2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	123.1600	0.000	1	123.1600	0.000	1	123.1600	0.000	1	122.5924	0.917	11	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	120.2010	0.000	1	120.2010	0.000	1	120.2947	1.363	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.6980	0.000	1	119.6980	0.000	1	120.2947	1.363	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.9600	0.000	1	121.9600	0.000	1	120.2947	1.363	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(NCH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	119.3200	0.000	1	119.3200	0.000	1	120.2947	1.363	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:N[6a]-3:N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	125.9320	0.000	1	125.9320	0.000	1	125.9320	0.000	1	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	121.0450	0.000	1	121.0450	0.000	1	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.4667	1.869	3	121.4667	3.493	3	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	113.7280	1.644	5	113.7280	2.703	5	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	117.9482	1.272	12	117.9482	1.618	12	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	122.7800	0.000	1	122.7800	0.000	1	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	120.8340	0.693	2	120.8340	0.480	2	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	123.9090	0.000	1	120.2213	6.097	19	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.0057	2.457	15	120.2213	6.097	19	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	120.7075	2.898	2	120.2213	6.097	19	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	118.7940	0.000	1	120.2213	6.097	19	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	118.0737	2.831	3	118.0737	8.016	3	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	117.2235	1.511	2	117.2235	2.283	2	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	119.8180	0.000	1	119.8180	0.000	1	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	119.0290	1.160	2	119.0290	1.345	2	118.9149	7.974	51	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.7530	0.000	1	120.7530	0.000	1	120.3287	0.343	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.4880	0.000	1	119.4880	0.000	1	120.3287	0.343	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.5370	0.233	2	120.5370	0.054	2	120.3287	0.343	4	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHN)(H)	C(NC[6a]H)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CHHN)(H)	C(NC[6a]H)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	119.2428	7.511	63	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	120.1466	7.255	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.6097	2.403	7	119.6097	5.774	7	119.6097	5.774	7	120.1466	7.255	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	119.7680	0.000	1	119.7680	0.000	1	119.7680	0.000	1	121.3474	20.649	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	126.7620	0.000	1	126.7620	0.000	1	126.7620	0.000	1	121.3474	20.649	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	121.3474	20.649	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	121.1025	6.283	2	121.1025	39.472	2	121.1025	39.472	2	121.3474	20.649	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	127.3230	0.000	1	127.3230	0.000	1	127.3230	0.000	1	127.3230	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:2:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	126.7510	0.000	1	126.7510	0.000	1	126.7510	0.000	1	126.7510	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	115.0860	2.468	2	115.0860	6.090	2	115.0860	6.090	2	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	122.1070	0.000	1	122.1070	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.5917	2.370	3	121.5917	5.615	3	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.8810	0.000	1	120.8810	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.3350	0.000	1	120.3350	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.0153	1.654	3	121.0153	2.736	3	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	121.5430	0.000	1	121.5430	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.8970	1.196	4	121.8970	1.431	4	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	120.0670	0.000	1	120.0670	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.8850	0.000	1	121.8850	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH){2|H<1>,3|C<3>}	121.3210	0.000	1	121.3210	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.4720	0.000	1	122.4720	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.9090	0.000	1	115.9090	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	122.4660	0.000	1	122.4660	0.000	1	121.2198	3.067	20	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	120.5110	6.303	24	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	124.0410	0.000	1	124.0410	0.000	1	124.0410	0.000	1	124.0410	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	121.3215	2.205	2	121.3215	4.864	2	121.3215	4.864	2	122.4395	3.452	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:N-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C(NC[6a]H)2(CH3)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C(NC[6a]H)2(CH3)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	123.5575	0.702	2	123.5575	0.493	2	123.5575	0.493	2	122.4395	3.452	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N(C[6a]N[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCFH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C(NC[6a]H)(CCFH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	120.7970	0.297	2	120.7970	0.088	2	120.7970	0.088	2	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	123.2745	0.688	4	123.2745	0.473	4	122.9908	0.757	5	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	121.8560	0.000	1	121.8560	0.000	1	122.9908	0.757	5	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	120.6060	0.847	2	120.6060	0.718	2	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	124.1750	0.000	1	124.1750	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	118.7090	0.000	1	118.7090	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	117.0460	0.403	2	117.0460	0.162	2	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	124.0800	3.041	2	124.0800	9.245	2	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	118.6960	0.000	1	118.6960	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.3600	0.000	1	121.3600	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	120.0490	0.000	1	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	122.8890	0.000	1	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	122.8400	0.000	1	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	121.0020	0.000	1	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.5807	1.008	3	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	122.7450	0.000	1	122.1584	1.385	8	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.9740	0.000	1	122.9740	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.2040	0.000	1	124.2040	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	122.2660	1.399	2	122.2660	1.956	2	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	130.9620	0.000	1	130.9620	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	119.5010	0.000	1	119.5010	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.9700	0.337	3	115.9700	0.113	3	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	121.9460	0.000	1	121.9460	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	120.8470	0.000	1	120.8470	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.9545	3.128	2	120.9545	9.781	2	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]F)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	124.6200	0.000	1	124.6200	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.8780	0.000	1	121.8780	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	121.5440	1.231	3	121.5440	1.516	3	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.3710	0.000	1	121.3710	0.000	1	121.3772	8.950	37	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.9165	0.930	2	122.9165	0.865	2	123.0600	0.572	4	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C(NC[6a]H)(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.2035	0.876	2	123.2035	0.768	2	123.0600	0.572	4	121.6614	7.408	48	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-3:N-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	118.9620	0.000	1	118.9620	0.000	1	118.9620	0.000	1	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.1970	0.000	1	120.1970	0.000	1	121.1845	0.836	4	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.0795	0.279	2	121.0795	0.078	2	121.1845	0.836	4	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.3820	0.000	1	122.3820	0.000	1	121.1845	0.836	4	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CBCH)(H)	C(NC[6a]H)(CCCH)(BCO)(H)	C[6a](C[6a]C[6a]2)2(NCH)	N(C[6a]C[6a]2)(CBCH)(H)	C(NC[6a]H)(CCCH)(BCO)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	117.4830	0.000	1	117.4830	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	124.7090	0.000	1	124.7090	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.6910	0.000	1	121.6910	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	122.6850	0.000	1	122.6850	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHN)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHN)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	125.7440	0.000	1	125.7440	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.4670	0.000	1	122.4670	0.000	1	122.4632	8.251	6	121.6335	5.100	12	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-3:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CF3)(COO)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CF3)(COO)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	125.6670	0.000	1	125.6670	0.000	1	125.6670	0.000	1	125.6670	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3750	0.000	1	122.3750	0.000	1	123.0280	0.853	2	123.0280	0.853	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	123.6810	0.000	1	123.6810	0.000	1	123.0280	0.853	2	123.0280	0.853	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:3:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	126.5050	0.000	1	126.5050	0.000	1	126.5050	0.000	1	126.5050	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	2:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N(C[6a]N[6a]2)(CCCH)(H)	C(NC[6a]H)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C(NC[6a]H)(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	123.2520	0.000	2	123.2520	0.000	2	123.2520	0.000	2	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	118.2637	0.918	3	118.2637	0.842	3	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.4100	1.107	2	123.4100	1.226	2	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	117.6285	0.182	2	117.6285	0.033	2	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.0380	0.000	1	121.0380	0.000	1	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	116.9740	0.000	1	116.9740	0.000	1	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	117.4815	0.183	2	117.4815	0.034	2	119.0766	6.007	11	119.7190	7.464	13	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	120.8400	0.000	1	120.8400	0.000	1	121.5373	0.545	3	121.5373	0.545	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CCO)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)2(CCO)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	121.8860	0.601	2	121.8860	0.361	2	121.5373	0.545	3	121.5373	0.545	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:N-3:	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH)	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	134.8450	0.000	1	134.8450	0.000	1	134.8450	0.000	1	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	N(C[6a]C[6a,6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|C<4>,1|H<1>}	121.8540	0.000	1	121.8540	0.000	1	120.4340	4.910	4	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	121.3575	0.579	2	121.3575	0.335	2	120.4340	4.910	4	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(NC[6a]H)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	117.1670	0.000	1	117.1670	0.000	1	120.4340	4.910	4	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO){1|H<1>,1|O<2>,3|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	124.0060	0.000	1	122.5480	4.252	2	122.5480	4.252	2	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(O)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	121.0900	0.000	1	122.5480	4.252	2	122.5480	4.252	2	122.3953	25.455	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Rh)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Rh)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	121.2370	0.000	1	121.2370	0.000	1	120.9485	0.166	2	120.9485	0.166	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Ru)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C(PC[6a]2Ru)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	120.6600	0.000	1	120.6600	0.000	1	120.9485	0.166	2	120.9485	0.166	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[5]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	115.5305	1.802	2	115.5305	3.249	2	117.2698	5.379	4	119.0713	5.406	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C(CN[6]HH)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	119.0090	0.888	2	119.0090	0.789	2	117.2698	5.379	4	119.0713	5.406	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	120.5725	1.106	4	120.5725	1.224	4	120.5126	0.936	5	119.0713	5.406	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C(C[5]C[5]2Ru)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	120.2730	0.000	1	120.2730	0.000	1	120.5126	0.936	5	119.0713	5.406	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CCHP)(H)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	122.3300	0.000	1	122.3300	0.000	1	122.3300	0.000	1	122.3300	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:3:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C[6a](C[6a]C[6a]C)2(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	126.8930	0.000	1	126.8930	0.000	1	126.8930	0.000	1	126.8930	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	123.2430	0.000	1	123.2430	0.000	1	123.2430	0.000	1	121.7780	1.646	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6]-4:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HP)(H)	C(C[6]C[6]2Cr)(PC[6a]2Rh)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(C[6a]C[6a]2)(CC[6]HP)(H)	C(C[6]C[6]2Cr)(PC[6a]2Rh)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	121.7780	1.646	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-4:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHPP)(H)	C(PC[6a]2O)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(C[6a]C[6a]2)(CHPP)(H)	C(PC[6a]2O)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	121.7780	1.646	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	117.9170	0.000	1	117.9170	0.000	1	119.3405	4.053	2	118.7280	1.154	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NTi)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NTi)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.7640	0.000	1	120.7640	0.000	1	119.3405	4.053	2	118.7280	1.154	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:S-2:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(SS)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CH3)(SS)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	118.4218	0.444	4	118.4218	0.198	4	118.4218	0.198	4	118.7280	1.154	6	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	113.5705	2.860	2	113.5705	8.181	2	112.5487	7.223	3	112.5487	7.223	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,2|H<1>}	110.5050	0.000	1	110.5050	0.000	1	112.5487	7.223	3	112.5487	7.223	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(OH)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CCCH)(OH)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	114.5783	4.582	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	116.9250	0.000	1	116.9250	0.000	1	115.5010	4.056	2	114.5783	4.582	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	114.0770	0.000	1	114.0770	0.000	1	115.5010	4.056	2	114.5783	4.582	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N(C[6a]C[6a]N[6a])(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO){2|H<1>,3|C<3>}	115.1353	0.492	3	115.1353	0.242	3	115.7348	0.477	14	115.7348	0.477	14	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|C<4>,1|H<1>}	116.4453	0.196	3	116.0618	0.378	9	115.7348	0.477	14	115.7348	0.477	14	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	115.8700	0.676	6	116.0618	0.378	9	115.7348	0.477	14	115.7348	0.477	14	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,1|C<4>,1|H<1>}	115.1270	0.000	1	115.1270	0.000	1	115.7348	0.477	14	115.7348	0.477	14	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO)	N(C[6a]C[6a]2)(CC3)(OH)	C(NC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	115.1980	0.000	1	115.1980	0.000	1	115.7348	0.477	14	115.7348	0.477	14	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.8030	0.000	1	117.8030	0.000	1	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.9570	0.000	1	113.9570	0.000	1	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.7903	1.065	3	115.1178	1.022	11	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	114.0010	0.000	1	115.1178	1.022	11	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	114.8620	1.243	2	115.1178	1.022	11	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	115.6400	0.913	5	115.1178	1.022	11	115.2351	1.550	13	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NCC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NCC)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.8655	2.519	2	120.8655	6.347	2	120.5797	3.419	3	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)(NCH)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6a]C[6a]2)(CH3)(NCH)	C(NC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	120.0080	0.000	1	120.0080	0.000	1	120.5797	3.419	3	116.1571	6.050	17	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.5700	3.086	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	117.5700	3.086	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	117.5700	3.086	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	115.9570	0.672	2	115.9570	0.451	2	115.9570	0.451	2	117.5700	3.086	5	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	118.9930	4.530	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:2:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<4>,2|C<3>}	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	118.9930	4.530	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	118.0000	0.000	1	118.0000	0.000	1	115.5043	6.176	6	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	117.5470	0.000	1	117.5470	0.000	1	115.5043	6.176	6	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[5,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	114.3698	2.261	4	114.3698	5.110	4	115.5043	6.176	6	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	N(C[6a]C[6,6,6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC)	N(C[6a]C[6,6,6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC){2|C<4>,2|H<1>,5|C<3>}	117.7590	1.097	2	117.7590	1.204	2	117.7590	1.204	2	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6,6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC){1|C<4>,2|H<1>,3|C<3>}	115.4135	1.817	2	115.4135	3.300	2	115.4135	3.300	2	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,3|H<1>}	115.7930	0.730	2	115.7930	0.533	2	115.7930	0.533	2	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC)	N(C[6a]C[6a,6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC){2|H<1>,5|C<3>}	116.3670	1.126	2	116.3670	1.267	2	116.3670	1.267	2	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	118.0505	1.084	2	118.0505	1.175	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	119.0080	0.000	1	119.0080	0.000	1	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	116.6720	0.000	1	116.6720	0.000	1	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	118.3510	0.717	2	118.3510	0.514	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	116.2905	3.919	2	116.2905	15.362	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	112.3732	1.629	6	114.4488	7.685	16	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	118.2953	0.494	4	114.4488	7.685	16	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	112.7370	1.529	2	114.4488	7.685	16	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	114.5718	1.631	4	114.4488	7.685	16	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	119.7405	4.331	2	119.7405	18.758	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	114.8665	1.954	4	114.8665	3.819	4	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	115.6905	1.098	2	115.6905	1.206	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<2>,3|C<3>}	115.9490	1.266	2	115.9490	1.602	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	117.9890	0.376	2	117.9890	0.142	2	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	118.0929	2.836	14	118.0929	8.042	14	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<2>,1|H<1>,3|C<3>}	111.8165	3.321	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<3>,1|H<1>,3|C<3>}	112.5708	1.505	6	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	111.2055	0.279	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<2>,1|H<1>,3|C<3>}	114.5800	1.981	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	112.6425	1.847	92	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	112.1543	0.796	66	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	112.6321	2.303	56	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|In<3>,1|H<1>,3|C<3>}	110.7680	0.987	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	111.4405	1.191	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Sb<4>,1|H<1>,3|C<3>}	113.5655	2.508	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Se<1>,1|H<1>,3|C<3>}	112.7830	1.355	2	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	111.1718	3.079	4	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.1797	1.324	54	112.9617	4.016	292	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	117.7422	3.594	4	117.5804	8.625	8	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<4>,3|C<3>}	117.4185	2.672	4	117.5804	8.625	8	113.5692	6.638	350	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	115.0250	0.000	1	115.0250	0.000	1	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.6795	0.815	2	117.6795	0.665	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.5210	0.105	2	116.5210	0.011	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	117.0787	0.899	4	116.4240	1.858	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.0420	0.000	1	116.4240	1.858	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	114.1870	0.000	1	116.4240	1.858	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.0083	0.289	4	118.0083	0.084	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	122.7370	0.000	1	122.7370	0.000	1	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.3095	0.699	2	119.3095	0.489	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.4515	0.016	2	118.4515	0.000	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	112.2270	0.000	1	112.2270	0.000	1	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.3510	0.000	1	118.3510	0.000	1	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	117.4447	0.417	4	117.4447	0.174	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	117.7765	0.117	2	117.9300	0.304	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	118.0835	0.897	2	117.9300	0.304	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	116.4493	1.707	6	116.4493	2.914	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	120.5325	0.227	2	120.5325	0.052	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	118.9223	1.132	4	118.9223	1.281	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|Br<1>,1|H<1>,3|C<3>}	115.9185	0.706	2	115.7069	2.096	24	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	118.1115	1.726	2	115.7069	2.096	24	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	115.8800	0.175	2	115.7069	2.096	24	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.3969	1.356	18	115.7069	2.096	24	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.7885	2.066	4	113.7885	4.267	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.2545	1.692	4	118.2545	2.861	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,2|O<2>}	117.3842	0.523	4	117.3842	0.274	4	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,1|H<1>,1|O<2>}	114.6910	0.639	2	114.6910	0.409	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.6507	2.056	10	116.6507	4.228	10	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.5974	1.668	19	113.8070	2.944	21	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	115.7990	0.233	2	113.8070	2.944	21	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|C<4>}	117.8175	2.686	2	117.0078	4.907	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	116.6030	2.262	4	117.0078	4.907	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|O<2>,2|H<1>,3|C<3>}	112.9000	0.233	2	112.9000	0.054	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.6218	1.387	6	115.6218	1.924	6	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	120.7445	2.710	2	120.7445	7.346	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	115.5175	2.279	2	115.5175	5.194	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	116.1125	1.083	2	116.1125	1.172	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	116.5310	2.981	6	116.7937	7.801	10	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	117.1877	2.872	4	116.7937	7.801	10	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	113.1204	1.927	52	113.1204	3.713	52	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,2|C<3>}	119.1580	0.007	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.1887	1.421	134	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	118.9005	0.390	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	119.2448	0.605	6	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	119.8220	0.409	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<6>,1|C<3>,1|H<1>}	119.4810	0.099	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Rh<8>,1|C<3>,1|H<1>}	116.1665	0.610	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|H<1>,1|N<2>}	119.3660	0.057	2	118.2799	1.981	152	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	115.4355	1.273	2	115.4355	1.622	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	112.5330	1.051	2	112.5330	1.104	2	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CH3)2	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	112.5756	1.503	16	112.5756	2.259	16	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CRuHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CRuHH)(CH3)	C(NC[6a]C)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	119.4490	0.000	1	119.4490	0.000	1	116.4808	7.293	366	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	117.2565	0.865	2	117.2565	0.748	2	115.8174	1.116	8	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C(NC[6a]C[5])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C){2|H<1>,3|C<3>}	115.3377	0.555	6	115.3377	0.308	6	115.8174	1.116	8	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(NC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	117.3437	0.731	3	117.3437	0.534	3	117.3437	0.534	3	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C(NC[6a]P)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	116.8795	0.166	2	116.8795	0.028	2	116.8795	0.028	2	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.5490	0.000	1	117.5490	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	N(C[6a]C[6a]2)(SCOO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	119.1590	0.000	1	119.1590	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	118.6330	0.000	1	118.6330	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.1470	0.000	1	117.1470	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	115.9050	0.000	1	115.9050	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	116.5130	0.000	1	116.5130	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C(NC[6a]S)(H)3	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	116.8700	0.000	1	116.8700	0.000	1	117.3966	1.334	7	115.1200	8.845	751	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:2:3:	C[6a]-3:S-4:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	C(NC[6a]S)(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	C(NC[6a]S)(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.9490	1.287	2	115.9490	1.656	2	116.5233	1.818	3	118.2917	2.511	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.6720	0.000	1	117.6720	0.000	1	116.5233	1.818	3	118.2917	2.511	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHO)2	C(NC[6a]C)(OO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.1758	0.690	6	119.1758	0.476	6	119.1758	0.476	6	118.2917	2.511	9	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	115.4390	0.371	2	115.4390	0.137	2	115.4390	0.137	2	115.6817	0.665	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS){1|O<1>,2|C<3>}	116.8250	0.000	1	116.8250	0.000	1	115.9245	1.622	2	115.6817	0.665	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS){1|O<1>,4|C<3>}	115.0240	0.000	1	115.0240	0.000	1	115.9245	1.622	2	115.6817	0.665	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.1220	0.626	4	115.1220	0.392	4	115.1220	0.392	4	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	115.0205	0.549	2	115.0205	0.302	2	115.0205	0.302	2	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	114.2752	2.975	4	114.2752	8.850	4	114.2752	8.850	4	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.3180	0.000	1	113.3180	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	114.0700	0.000	1	114.0700	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	114.1230	0.000	1	114.1230	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.9091	0.785	7	113.9091	0.616	7	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	119.6075	0.852	2	119.6075	0.726	2	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7730	0.000	1	117.7730	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	113.8340	0.000	1	113.8340	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.8950	0.000	1	117.8950	0.000	1	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	114.5140	0.045	2	114.5140	0.002	2	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	115.0480	1.490	4	115.0480	2.220	4	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC){1|Cl<1>,1|C<3>,1|O<2>}	114.6210	2.192	4	114.6210	4.803	4	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.5890	3.482	4	118.5890	12.126	4	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	117.2825	0.346	2	117.2825	0.120	2	115.6199	6.192	31	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.6550	0.837	2	116.6550	0.701	2	118.1056	1.838	7	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.0010	0.503	2	119.0010	0.253	2	118.1056	1.838	7	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	119.2665	0.312	2	119.2665	0.097	2	118.1056	1.838	7	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(NC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	116.8940	0.000	1	116.8940	0.000	1	118.1056	1.838	7	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(NC[6a]C)(NNS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C(NC[6a]C)(NNS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.7285	0.285	2	116.7285	0.081	2	115.4840	4.687	3	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHN)2	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CHHN)2	C(NC[6a]C)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	112.9950	0.000	1	112.9950	0.000	1	115.4840	4.687	3	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	114.0150	0.939	2	114.0150	0.882	2	114.0150	0.882	2	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	113.0060	2.328	4	113.0060	5.417	4	118.7762	11.685	20	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.2470	1.735	14	120.2470	3.010	14	118.7762	11.685	20	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFeNi)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHS)2	C(NC[6a]C)(SFeNi)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.0210	0.249	2	120.0210	0.062	2	118.7762	11.685	20	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N[5]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.4849	1.362	10	116.4849	1.854	10	116.4849	1.854	10	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	C(C[5a]C[5a]N[5a])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS){5|C<3>}	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	120.7290	0.000	1	120.7290	0.000	1	118.3133	4.445	3	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|B<3>,1|C<3>,1|H<1>}	117.1055	0.370	2	117.1055	0.137	2	118.3133	4.445	3	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	117.5192	1.502	4	117.5192	2.256	4	117.5192	2.256	4	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6,6]-4:C-4:	N-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C(NC[6,6]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C(NC[6,6]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C){2|H<1>,3|C<3>}	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>}	115.6100	0.000	1	115.6100	0.000	1	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.9275	0.557	8	117.9275	0.310	8	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|H<1>}	114.5740	0.000	1	113.3790	2.856	2	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	112.1840	0.000	1	113.3790	2.856	2	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	115.3280	0.000	1	115.3280	0.000	1	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.5750	0.202	2	117.5750	0.041	2	116.8761	3.334	14	116.6792	6.987	107	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(CC[6a]C)(NC[6a]C)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(CC[6a]C)(NC[6a]C)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.7165	0.034	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	117.7165	0.034	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	115.3265	0.055	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.3265	0.055	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:N-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	117.0435	1.814	2	116.4423	1.833	4	116.4423	1.833	4	116.4423	1.833	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N(C[6a]N[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	115.8410	0.874	2	116.4423	1.833	4	116.4423	1.833	4	116.4423	1.833	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.9330	0.182	2	116.9330	0.033	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	118.8020	0.000	1	118.8020	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	119.8538	0.811	4	118.0678	8.062	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	114.6770	0.000	1	118.0678	8.062	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	114.3150	0.000	1	118.0678	8.062	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.6555	0.466	2	118.6555	0.217	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	112.9673	1.632	6	112.9673	2.663	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.3690	0.000	1	116.3690	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|H<1>}	118.6197	0.786	4	118.6197	0.617	4	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.2895	0.274	2	118.2895	0.075	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	118.8243	1.229	4	118.8332	0.915	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	118.8510	0.212	2	118.8332	0.915	6	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.0755	0.403	4	119.0755	0.162	4	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	115.4245	1.199	2	115.4245	1.437	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	115.6947	0.648	4	115.6947	0.420	4	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	116.0351	1.327	8	116.0351	1.760	8	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCHH)2	C(NC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	113.4700	3.598	2	113.4700	12.944	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(NC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	111.4710	0.000	1	111.4710	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.1030	0.000	1	117.1030	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.4570	0.000	1	116.4570	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.9177	0.333	4	115.9177	0.111	4	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	120.1265	0.182	2	120.1265	0.033	2	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.7630	0.000	1	117.7630	0.000	1	116.8081	5.959	60	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC)	N(C[6a]C[6a]N[6a])(CCHH)2	C(NC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC){1|N<3>,2|O<1>}	115.1615	0.086	2	115.1615	0.007	2	115.1615	0.007	2	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	118.2096	2.969	16	118.2096	8.818	16	117.4916	8.740	24	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PMoCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4960	1.278	2	117.4960	1.634	2	117.4916	8.740	24	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.8520	1.124	2	116.8520	1.264	2	117.4916	8.740	24	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.4885	1.063	2	117.4885	1.130	2	117.4916	8.740	24	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(NC[6a]C)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	112.3860	1.875	2	112.3860	3.517	2	117.4916	8.740	24	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C(NC[6a]S)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	117.9690	0.000	1	117.9690	0.000	1	117.9690	0.000	1	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:In-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(InCoNN)(CHHP)	C(NC[6a]In)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	N(C[6a]C[6a]2)(InCoNN)(CHHP)	C(NC[6a]In)(PCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	119.4850	0.662	3	119.4850	0.438	3	119.6001	0.521	12	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:In-4:C-4:	N-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C(NC[6a]In)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C(NC[6a]In)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	119.6384	0.775	9	119.6384	0.601	9	119.6001	0.521	12	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	118.8450	0.000	1	118.8450	0.000	1	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	118.0710	0.000	1	118.0710	0.000	1	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	118.6490	0.000	1	118.6490	0.000	1	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	116.9500	0.000	1	117.1853	0.210	3	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	117.3030	0.581	2	117.1853	0.210	3	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C(NC[6a]S)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.7331	0.672	7	117.3277	6.147	108	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:C-4:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	116.0585	0.296	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C(NC[6a]C)(CHHN)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	115.6740	0.000	1	115.6740	0.000	1	115.6740	0.000	1	116.0585	0.296	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CC3)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C(NC[6a]C)(CC3)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	115.7490	0.000	1	115.7490	0.000	1	115.7490	0.000	1	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.7415	0.268	2	115.7415	0.072	2	116.0064	6.793	7	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C(NC[6a]C)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	118.4930	0.000	1	118.4930	0.000	1	116.0064	6.793	7	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	120.3330	0.000	1	120.3330	0.000	1	116.0064	6.793	7	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CCCH)(CH3)	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	115.1670	0.000	1	115.1670	0.000	1	116.0064	6.793	7	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCCH)2	C(NC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	113.2845	0.344	2	113.2845	0.119	2	116.0064	6.793	7	115.9742	5.830	8	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:3:	3:3:3:	C[6a]-3:S-4:C-4:	N-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SCOO)(CC3)	C(NC[6a]S)(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	116.4095	0.600	2	116.4095	0.360	2	116.4095	0.360	2	116.4095	0.360	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	N-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC3)2	C(NC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC3)2	C(NC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	113.6248	1.329	4	113.6248	1.768	4	113.6248	1.768	4	113.6248	1.768	4	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(CC[6a]CN)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(CC[6a]CN)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[4]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C(C[4]C[4]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C(C[4]C[4]2H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	114.0680	0.406	2	114.0680	0.165	2	114.5680	0.832	3	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	115.5680	0.000	1	115.5680	0.000	1	114.5680	0.832	3	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	120.9350	0.000	1	120.9350	0.000	1	120.3100	0.417	3	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.9975	0.499	2	119.9975	0.249	2	120.3100	0.417	3	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.8413	2.085	6	115.8413	4.346	6	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]PtC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.7985	0.995	2	119.7985	0.990	2	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.1582	1.819	6	116.1582	3.308	6	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Co)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Co)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	119.0935	2.234	2	119.0935	4.990	2	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Cu)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Cu)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	113.0572	1.302	4	113.0572	1.694	4	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Ni)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Ni)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	114.7390	1.004	2	114.7390	1.008	2	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	112.1757	4.101	3	112.1757	16.816	3	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	115.0367	0.967	8	115.0367	0.936	8	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	112.8945	1.592	4	112.8945	2.535	4	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	113.6445	0.869	2	113.6445	0.755	2	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]CoC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]CoC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.2322	2.131	4	117.2322	4.542	4	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]FeC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	116.2782	1.816	4	116.2782	3.298	4	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]NiC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	115.4918	3.689	16	115.4918	13.608	16	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC)	N(C[6a]C[6a]2)(CHHP)2	C(PC[6a]RhC)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	117.2100	1.813	6	117.2100	3.287	6	115.5413	7.865	69	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:S-4:C-4:	C[3]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	115.7505	8.057	81	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	120.7390	1.951	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	120.7390	1.951	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	120.7390	1.951	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	3:3:3:4:	3:3:3:	C-4:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	120.3670	0.778	3	120.3670	0.606	3	120.3670	0.606	3	120.3670	0.606	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[4]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	121.0865	0.631	2	121.0865	0.399	2	121.0865	0.399	2	120.6673	0.726	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	120.6673	0.726	3	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:1:	4:3:3:3:	3:3:3:	C-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C-4:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	117.4595	0.282	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:C-4:	N[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	117.4595	0.282	2	116.6334	11.648	1573	116.6334	11.648	1573
956	490	643	0:SP3_SP2_SP3	N	C	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C-4:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C(NC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	116.6334	11.648	1573	116.6334	11.648	1573